Overview
REMARKs following the refinement remark consist of free text annotation, predefined boilerplate remarks, and token: value pair styled templates. PDB is beginning to organize the most often used remarks, and assign numbers and topics to them.
Presented here is the scheme being followed in the remark section of PDB files. The PDB expects to continue to adopt standard text or tables for certain remarks, as details are worked out.
Record Format and Details
* Non-standard remark annotations, or those with no clearly-defined topic or assigned remark number, appear with remark number 6 or greater, but less than remark number 100.
* Note that A, B, N, X, Y, and Z are used to represent variables in the following examples.
* As with all other remarks, the first line of each remark is empty and is used as a spacer.
Remark 4 is mandatory in entry if released after April 15, 1996.In order to properly annotate the entries, REMARK 4 will now refer to the format as described in Contents Guide version 2.2.
Template
REMARK 4 REMARK 4 XXXX COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996
XXXX refers to the ID code of the entry.
N.M refers to the version number.
DD-MMM-YYYY refers to the release date of that version of the format. DD is a number 01 through 31, MMM is a 3 letter abbreviation for the month, and YYYY is the year.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 4 REMARK 4 1ABC COMPLIES WITH FORMAT V. 2.1, 25-OCT-1996
Remark 5 repeats information presented on the CAVEAT record, which warns of severe errors in an entry. It also presents depositors' remarks of a cautionary nature, such as noting regions of poorly defined density.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 5 REMARK 5 WARNING REMARK 5 XXXX: FREE TEXT GOES HERE.
XXXX refers to the ID code of the entry.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 5 REMARK 5 WARNING REMARK 5 1ABC: THE CRYSTAL TRANSFORMATION IS IN ERROR BUT IS REMARK 5 UNCORRECTABLE AT THIS TIME.
Non-standard remark annotations, or those with no clearly defined topic or assigned remark number appear with remark number 6 or greater, but less than remark number 100.
These remarks are used in nucleic acid structures processed by the Nucleic Acid Database.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY THE NUCLEIC ACID DATABASE REMARK 100 ON DD-MMM-YYYY. REMARK 100 THE NDB ID CODE IS NNNNNN.
Remark 101 is mandatory if substituted nucleic acid residues exit.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 101 REMARK 101 RESIDUE X Y N HAS XXX BONDED TO AB. REMARK 101 RESIDUE X Y N HAS XXX BONDED TO AB.
X is the modified residue name, Y is the chain identifier, N is the sequence number, XXX is the name of the modifier, A is the atom name and B the sequence number of the atom carrying the modifier.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 101 REMARK 101 RESIDUE G A 4 HAS CH3 BONDED TO O6. REMARK 101 RESIDUE G B 16 HAS CH3 BONDED TO O6.
Remark 102 is mandatory if mispaired bases exist and Watson-Crick H-bonding is present.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 102 REMARK 102 BASES A B NN AND X Y ZZ ARE MISPAIRED. REMARK 102 BASES A B NN AND X Y ZZ ARE MISPAIRED. REMARK 102 ALL OTHER HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY REMARK 102 FOLLOW THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING REMARK 102 PATTERN AND THEY HAVE NOT BEEN PRESENTED ON *CONECT* REMARK 102 RECORDS IN THIS ENTRY.
A is the residue name, B the chain identifier, and NN the sequence number of first base, X is the residue name, Y the chain id, and ZZ the sequence number of the second base.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 102 REMARK 102 BASES G A 4 AND A B 21 ARE MISPAIRED. REMARK 102 BASES A A 9 AND G B 16 ARE MISPAIRED. REMARK 102 ALL OTHER HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY REMARK 102 FOLLOW THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING REMARK 102 PATTERN AND THEY HAVE NOT BEEN PRESENTED ON *CONECT* REMARK 102 RECORDS IN THIS ENTRY.
Inosine is treated like a standard residue, however, entries containing inosine also include remarks 103 and 104.
Remark 103 is mandatory if non-Watson-Crick H-bonding is present for specific interactions.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 103 REMARK 103 THERE ARE NON-WATSON-CRICK HYDROGEN BONDS BETWEEN THE REMARK 103 FOLLOWING ATOMS: REMARK 103 AB I X N AND AB Z X NN REMARK 103 AB I X N AND AB Z X NN REMARK 103 ALL OTHER HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY REMARK 103 FOLLOW THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING REMARK 103 PATTERN AND THEY HAVE NOT BEEN PRESENTED ON *CONECT* REMARK 103 RECORDS IN THIS ENTRY.
AB is the atom name, I the residue name inosine, X the chain identifier,
and N the sequence number of inosine, and AB is the atom name,
Z the residue name, X the chain identifier, and NN the sequence
number of the base which is paired with inosine.
Remark 104 is mandatory if inosine exists.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 104 REMARK 104 RESIDUE I X N IS INOSINE. REMARK 104 RESIDUE I X N IS INOSINE.
X is the chain identifier and N the sequence number.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 103 REMARK 103 THERE ARE NON-WATSON-CRICK HYDROGEN BONDS BETWEEN THE REMARK 103 FOLLOWING ATOMS: REMARK 103 N1 I A 1 AND N3 C B 16 REMARK 103 O6 I A 1 AND N4 C B 16 REMARK 103 N1 I A 3 AND N3 C B 14 REMARK 103 O6 I A 3 AND N4 C B 14 REMARK 103 ALL OTHER HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY REMARK 103 FOLLOW THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING REMARK 103 PATTERN AND THEY HAVE NOT BEEN PRESENTED ON CONECT REMARK 103 RECORDS IN THIS ENTRY. REMARK 104 REMARK 104 RESIDUE I A 1 IS INOSINE. REMARK 104 RESIDUE I A 3 IS INOSINE.
Remark 105 is mandatory if nucleic acids exist in an entry.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 105 REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*.
Remark 106 is mandatory if hydrogen bonding is Watson-Crick.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 106 REMARK 106 THE HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY FOLLOW REMARK 106 THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING PATTERN. REMARK 106 THEY HAVE NOT BEEN PRESENTED ON *CONECT* RECORDS IN THIS REMARK 106 ENTRY.
Remarks in this range present the data collection details for the data which resulted in the refinement statistics of REMARK 3. They provide information on the structure determination experiment, which may have been done by diffraction, NMR, theoretical modelling, or some other technique.
The "NULL" value will be used if the data for a token is not supplied by the depositor.
To be used for single crystal, fiber, or polycrystalline X-ray diffraction experiments.
Remark 200 is mandatory if x-ray.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : REMARK 200 TEMPERATURE (KELVIN) : REMARK 200 PH : REMARK 200 NUMBER OF CRYSTALS USED : REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : REMARK 200 RADIATION SOURCE : REMARK 200 BEAMLINE : REMARK 200 X-RAY GENERATOR MODEL : REMARK 200 MONOCHROMATIC OR LAUE (M/L) : REMARK 200 WAVELENGTH OR RANGE (A) : REMARK 200 MONOCHROMATOR : REMARK 200 OPTICS : REMARK 200 REMARK 200 DETECTOR TYPE : REMARK 200 DETECTOR MANUFACTURER : REMARK 200 INTENSITY-INTEGRATION SOFTWARE : REMARK 200 DATA SCALING SOFTWARE : REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : REMARK 200 RESOLUTION RANGE HIGH (A) : REMARK 200 RESOLUTION RANGE LOW (A) : REMARK 200 REJECTION CRITERIA (SIGMA(I)) : REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : REMARK 200 DATA REDUNDANCY : REMARK 200 R MERGE (I) : REMARK 200 R SYM (I) : REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : REMARK 200 COMPLETENESS FOR SHELL (%) : REMARK 200 DATA REDUNDANCY IN SHELL : REMARK 200 R MERGE FOR SHELL (I) : REMARK 200 R SYM FOR SHELL (I) : REMARK 200 <I/SIGMA(I)> FOR SHELL : REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: REMARK 200 SOFTWARE USED: REMARK 200 STARTING MODEL: REMARK 200 REMARK 200 REMARK:
Remark 205 is mandatory if fiber diffraction - non-crystalline sample.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 205 REMARK 205 THESE COORDINATES WERE GENERATED FROM FIBER DIFFRACTION REMARK 205 DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT CRYST1 REMARK 205 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES OF THESE REMARK 205 RECORDS ARE MEANINGLESS.
Remark 210 is mandatory if NMR.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : REMARK 210 PH : REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : REMARK 210 SPECTROMETER FIELD STRENGTH : REMARK 210 SPECTROMETER MODEL : REMARK 210 SPECTROMETER MANUFACTURER : REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : REMARK 210 METHOD USED : REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : REMARK 210 CONFORMERS, NUMBER SUBMITTED : REMARK 210 CONFORMERS, SELECTION CRITERIA : REMARK 210 REMARK 210 REMARK:
Remark 215 is mandatory if NMR
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 217 REMARK 217 SOLID STATE NMR STUDY REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 217 THESE RECORDS ARE MEANINGLESS.
Remark 220 is mandatory if theoretical model.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 220 REMARK 220 EXPERIMENTAL DETAILS REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING REMARK 220 REMARK 220 REMARK:
Remark 225 is mandatory if theoretical model.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 225 REMARK 225 THEORETICAL MODEL REMARK 225 THE COORDINATES IN THIS ENTRY REPRESENT A MODEL STRUCTURE. REMARK 225 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT CRYST1 AND REMARK 225 SCALE RECORDS BE INCLUDED, BUT THE VALUES ON THESE REMARK 225 RECORDS ARE MEANINGLESS.
Remark 230 is mandatory if neutron diffraction study.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 230 REMARK 230 EXPERIMENTAL DETAILS REMARK 230 EXPERIMENT TYPE : NEUTRON DIFFRACTION REMARK 230 DATE OF DATA COLLECTION : REMARK 230 TEMPERATURE (KELVIN) : REMARK 230 PH : REMARK 230 NUMBER OF CRYSTALS USED : REMARK 230 REMARK 230 NEUTRON SOURCE : REMARK 230 BEAMLINE : REMARK 230 WAVELENGTH OR RANGE (A) : REMARK 230 MONOCHROMATOR : REMARK 230 OPTICS : REMARK 230 REMARK 230 DETECTOR TYPE : REMARK 230 DETECTOR MANUFACTURER : REMARK 230 INTENSITY-INTEGRATION SOFTWARE : REMARK 230 DATA SCALING SOFTWARE : REMARK 230 REMARK 230 NUMBER OF UNIQUE REFLECTIONS : REMARK 230 RESOLUTION RANGE HIGH (A) : REMARK 230 RESOLUTION RANGE LOW (A) : REMARK 230 REJECTION CRITERIA (SIGMA(I)) : REMARK 230 REMARK 230 OVERALL. REMARK 230 COMPLETENESS FOR RANGE (%) : REMARK 230 DATA REDUNDANCY : REMARK 230 R MERGE (I) : REMARK 230 R SYM (I) : REMARK 230 <I/SIGMA(I)> FOR THE DATA SET : REMARK 230 REMARK 230 IN THE HIGHEST RESOLUTION SHELL. REMARK 230 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : REMARK 230 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : REMARK 230 COMPLETENESS FOR SHELL (%) : REMARK 230 DATA REDUNDANCY IN SHELL : REMARK 230 R MERGE FOR SHELL (I) : REMARK 230 R SYM FOR SHELL (I) : REMARK 230 <I/SIGMA(I)> FOR SHELL : REMARK 230 REMARK 230 METHOD USED TO DETERMINE THE STRUCTURE: REMARK 230 SOFTWARE USED : REMARK 230 STARTING MODEL: REMARK 230 REMARK 230 REMARK:
Remark 240 is mandatory if electron diffraction study.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 240 REMARK 240 EXPERIMENTAL DETAILS REMARK 240 EXPERIMENT TYPE : ELECTRON DIFFRACTION REMARK 240 DATE OF DATA COLLECTION : REMARK 240 REMARK 240 REMARK:
Remark specific to other kinds of studies, not listed above.
Remark 250 is mandatory if other than x-ray, NMR, theoretical model, neutron, or electron study.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 250 REMARK 250 EXPERIMENTAL DETAILS REMARK 250 EXPERIMENT TYPE : REMARK 250 DATE OF DATA COLLECTION : REMARK 250 REMARK 250 REMARK:
Remark 280 presents information on the crystal. The solvent content and Matthews coefficient are provided for protein and polypeptide crystals. Crystallization conditions are free text.
Remark 280 is mandatory if single crystal study.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: FREE TEXT GOES HERE.
Remark 285 presents information on the unit cell.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 285 REMARK 285 CRYST1 REMARK 285 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 285 REMARK 285 CRYST1 REMARK 285 TEXT TO EXPLAIN UNUSUAL UNIT-CELL DATA: THE DATA WAS REMARK 285 COLLECTED ON TWO-DIMENSIONAL CRYSTALS AND HENCE THE REMARK 285 C-AXIS REPEAT DOES NOT CORRESPOND TO A REAL REPEAT, BUT REMARK 285 INSTEAD REFERS TO THE SAMPLING THAT IS USED TO DESCRIBE REMARK 285 THE CONTINUOUS TRANSFORM. THE C VALUE OF 100.9 IS REMARK 285 THEREFORE THE VALUE WHICH SHOULD BE USED IN REMARK 285 INTERPRETING THE MEANING OF THE L INDEX.
Remark 290 is mandatory for crystalline studies. The remark is generated by PDB.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 1/2-X,-Y,1/2+Z REMARK 290 3555 -X,1/2+Y,1/2-Z REMARK 290 4555 1/2+X,1/2-Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 36.30027 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 59.50256 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 46.45545 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 59.50256 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 36.30027 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 46.45545 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK:
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 290 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 1/2-X,-Y,1/2+Z REMARK 290 3555 -X,1/2+Y,1/2-Z REMARK 290 4555 1/2+X,1/2-Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 36.30027 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 59.50256 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 46.45545 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 59.50256 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 36.30027 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 46.45545 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL
Description of non-crystallographic symmetry. Mandatory when MTRIX records are present.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 295 REMARK 295 NON-CRYSTALLOGRAPHIC SYMMETRY REMARK 295 THE TRANSFORMATIONS PRESENTED ON THE MTRIX RECORDS BELOW REMARK 295 DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG ATOMS REMARK 295 IN THIS ENTRY. APPLYING THE APPROPRIATE MTRIX REMARK 295 TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL YIELD REMARK 295 APPROXIMATE COORDINATES FOR THE RESIDUES LISTED SECOND. REMARK 295 CHAIN IDENTIFIERS GIVEN AS "?" REFER TO CHAINS FOR WHICH REMARK 295 ATOMS ARE NOT FOUND IN THIS ENTRY. REMARK 295 REMARK 295 APPLIED TO TRANSFORMED TO REMARK 295 TRANSFORM CHAIN RESIDUES CHAIN RESIDUES RMSD REMARK 295 SSS ? ? .. ? ? ? .. ? ? REMARK 295 REMARK 295 WHERE SSS -> COLUMNS 8-10 OF MTRIX RECORDS REMARK 295 REMARK 295 REMARK:
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 295 REMARK 295 NON-CRYSTALLOGRAPHIC SYMMETRY REMARK 295 THE TRANSFORMATIONS PRESENTED ON THE MTRIX RECORDS BELOW REMARK 295 DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG ATOMS REMARK 295 IN THIS ENTRY. APPLYING THE APPROPRIATE MTRIX REMARK 295 TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL YIELD REMARK 295 APPROXIMATE COORDINATES FOR THE RESIDUES LISTED SECOND. REMARK 295 CHAIN IDENTIFIERS GIVEN AS "?" REFER TO CHAINS FOR WHICH REMARK 295 ATOMS ARE NOT FOUND IN THIS ENTRY. REMARK 295 REMARK 295 APPLIED TO TRANSFORMED TO REMARK 295 TRANSFORM CHAIN RESIDUES CHAIN RESIDUES RMSD REMARK 295 SSS REMARK 295 M 1 A 1 .. 374 C 1 .. 374 0.010 REMARK 295 M 2 B 1 .. 374 D 1 .. 374 0.010 REMARK 295 REMARK 295 WHERE SSS -> COLUMNS 8-10 OF MTRIX RECORDS REMARK 295 REMARK 295 REMARK:
Description of the biologically functional molecule (biomolecule) in free text.
Remark 300 is mandatory if Remark 350 is provided.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 300 REMARK 300 BIOMOLECULE REMARK 300 FREE TEXT DESCRIPTION OF THE BIOLOGICALLY FUNCTIONAL REMARK 300 MOLECULE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 300 REMARK 300 BIOMOLECULE REMARK 300 THE CATALYTIC SUBUNIT OF LIVER ALCOHOL DEHYDROGENASE FROM REMARK 300 EQUUS CABALLUS IS A HOMO DIMER.
Remark 350 presents all transformations, both crystallographic and non-crystallographic, needed to generate the biomolecule. These transformations operate on the coordinates in the entry.
Remark 350 is mandatory if Remark 300 is provided.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 APPLY THE FOLLOWING TO CHAINS: ?, ?... REMARK 350 BIOMT1 N N.NNNNNN N.NNNNNN N.NNNNNN N.NNNNN REMARK 350 BIOMT2 N N.NNNNNN N.NNNNNN N.NNNNNN N.NNNNN REMARK 350 BIOMT3 N N.NNNNNN N.NNNNNN N.NNNNNN N.NNNNN
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 60.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 -120.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, F REMARK 350 BIOMT1 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 -1.000000 0.000000 60.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 0.000000 -1.000000 0.000000 -120.00000 REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F, G, H REMARK 350 APPLY THE FOLLOWING TO CHAINS: I, J, K, L REMARK 350 BIOMT1 1 -0.500000 -0.865983 0.000000 0.00000 REMARK 350 BIOMT2 1 0.866068 -0.500000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
Remark 375 specifies atoms that are known to lie in particular locations, related by the symmetry elements, at which objects may be placed if and only if they possess symmetry which coincides with that of the cell.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 HOH 301 LIES ON A SPECIAL POSITION. REMARK 375 HOH 77 LIES ON A SPECIAL POSITION. REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 MG MO4 A 10 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 13 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 28 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 36 LIES ON A SPECIAL POSITION.
Further details on the macromolecular contents of the entry.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 400 REMARK 400 COMPOUND REMARK 400 FREE TEXT GOES HERE.
Further details on the biological source of the macromolecular contents of the entry.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 450 REMARK 450 SOURCE REMARK 450 FREE TEXT GOES HERE.
Remark 460 is mandatory when IUPAC-IUB rules are not strictly followed in naming side-chain atoms.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 460 REMARK 460 NON-IUPAC REMARK 460 BY REQUEST OF THE DEPOSITOR, THE PROTEIN DATA BANK HAS NOT REMARK 460 APPLIED THE IUPAC-IUB RECOMMENDATIONS REGARDING THE REMARK 460 DESIGNATION OF BRANCHES 1 AND 2 OF SIDE-CHAIN ATOMS IN REMARK 460 RESIDUES ARG, ASP, GLU, LEU, PHE, TYR, AND VAL TO THIS REMARK 460 ENTRY.
Non-hydrogen atoms of standard residues which are missing from thecoordinates are listed. Missing HETATMS are not listed here.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG A 412 CG CD NE CZ NH1 NH2 REMARK 470 ARG A 456 CG CD NE CZ NH1 NH2 REMARK 470 GLU A 486 CG CD OE1 OE2 REMARK 470 GLU A 547 CG CD OE1 OE2 REMARK 470 GLU A 548 CG CD OE1 OE2 REMARK 470 LYS A 606 CG CD CE NZ REMARK 470 ARG B 456 CG CD NE CZ NH1 NH2 REMARK 470 ASP B 484 CG OD1 OD2 REMARK 470 GLN B 485 CG CD OE1 NE2 REMARK 470 GLU B 486 CG CD OE1 OE2 REMARK 470 ARG B 490 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 522 CG CD OE1 OE2 REMARK 470 ARG B 576 CG CD NE CZ NH1 NH2 REMARK 470 ASP B 599 CG OD1 OD2
Further details on the stereochemistry of the structure. This remark is generated by PDB, but may also be provided by the depositor. Additional subtopics may be added as needed.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: REMARK 500 REMARK 500 FREE TEXT GOES HERE.
Example, close contacts (changed in vs. 2.2)
In response to recommendations from several depositors, we have updated our program which checks for close contacts. Because these are reported in remark 500, PDB has changed the free text field of REMARK 500 when it refers to close contacts.
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. SOME OF THESE MAY BE ATOMS REMARK 500 LOCATED ON SPECIAL POSITIONS IN THE CELL. REMARK 500 REMARK 500 DISTANCE CUTOFF: 2.2 ANGSTROMS REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 CB LEU D 68 - CE LYS E 76 1656 2.10 REMARK 500 CB THR D 173 - O HOH 1151 4455 1.73 REMARK 500 O HOH 1151 - CB THR D 173 4566 1.73 REMARK 500 CZ ARG D 64 - O HOH 1422 3656 1.75 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH 761 - O ARG 17 1.89 REMARK 500 O HOH 806 - N ARG 88 1.46
Example, non-CIS, non-trans
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 VAL A 123 GLN A 124 0 221.48 REMARK 500 VAL B 123 GLN B 124 0 222.43
Example, chiral centers
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,A12) REMARK 500 REMARK 500 M RES CSSEQI REMARK 500 0 GLU 1 ALPHA-CARBON REMARK 500 0 GLU 1 SIDE-CHAIN REMARK 500 0 GLU 1 ALPHA-CARBON
Example, covalent bond angles
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 4*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(2X,A4,17X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 0 ASP 3 C-1 - N - CA ANGL. DEV. = 21.7 DEGREES
Example, torsion angles
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 0 VAL 26 -174.85 -134.80 REMARK 500 0 MET 61 46.11 -176.53
Remarks specific to the solvent molecules of the entry.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 525 REMARK 525 SOLVENT REMARK 525 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 525 REMARK 525 SOLVENT REMARK 525 MANY OF THE WATER MOLECULES APPEAR TO BE ASSOCIATED WITH REMARK 525 A SYMMETRY-RELATED MOLECULE. REMARK 525 REMARK 525 SOLVENT REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 0 HOH 561 DISTANCE = 5.07 ANGSTROMS REMARK 525 0 HOH 791 DISTANCE = 5.08 ANGSTROMS
Description of the segment identifiers used in ATOM/HETATM.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 550 REMARK 550 SEGID REMARK 550 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 550 REMARK 550 SEGID REMARK 550 RESIDUES 1-55, SEGID VH1 ARE THE HEAVY CHAIN, VARIABLE REMARK 550 REGION 1. RESIDUES 56-100, SEGID VH2 ARE THE HEAVY CHAIN, REMARK 550 VARIABLE REGION 2,AND RESIDUES 101-150., SEGID VH3 ARE THE REMARK 550 HEAVY CHAIN.
Further details on the heterogens in the entry.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 600 REMARK 600 HETEROGEN REMARK 600 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 600 REMARK 600 HETEROGEN REMARK 600 HET GROUP TRIVIAL NAME: PHOSPHOTYROSINE REMARK 600 EMPIRICAL FORMULA : C9 O6 N P REMARK 600 REMARK 600 O REMARK 600 / _ REMARK 600 O = C C = C O REMARK 600 \ / \ / _ REMARK 600 C - C - C C - O - P - O REMARK 600 / \\ // \\ REMARK 600 N C - C O REMARK 600 REMARK 600 REMARK 600 NUMBER OF ATOMS IN GROUP: 17 (EXCLUDING HYDROGENS)
Further details on the helix contents of the entry.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 650 REMARK 650 HELIX REMARK 650 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: KDSSP REMARK 650 THE MAJOR DOMAINS ARE: "N" FOR N-TERMINAL DOMAIN, "B" FOR REMARK 650 BETA-BARREL DOMAIN, AND "C" FOR C-TERMINAL DOMAIN. "F" REMARK 650 REFERS TO THE ACTIVE SITE FLAP. ALPHA HELICES ARE NAMED REMARK 650 WITH TWO CHARACTERS, THE FIRST REFERRING TO THE DOMAIN REMARK 650 IN WHICH THEY OCCUR.
Further details on the sheet contents of the structure. Several standard templates are included here.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 700 REMARK 700 SHEET REMARK 700 FREE TEXT GOES HERE. REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, REMARK 700 TWO SHEETS ARE DEFINED. STRANDS N1, N2, N3 AND N4 OF SHEET REMARK 700 XXX AND XXX ARE IDENTICAL. REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: REMARK 700 THE SHEET PRESENTED AS XXX ON SHEET RECORDS BELOW IS REMARK 700 ACTUALLY AN N-STRANDED BETA-BARREL. THIS IS REMARK 700 REPRESENTED BY A N+1-STRANDED SHEET IN WHICH THE FIRST AND REMARK 700 LAST STRANDS ARE IDENTICAL. REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: REMARK 700 THERE ARE SEVERAL BIFURCATED SHEETS IN THIS STRUCTURE. REMARK 700 EACH IS REPRESENTED BY TWO SHEETS WHICH HAVE ONE OR MORE REMARK 700 IDENTICAL STRANDS. REMARK 700 SHEETS XXX AND XXX REPRESENT ONE BIFURCATED SHEET. REMARK 700 SHEETS XXX AND XXX REPRESENT ONE BIFURCATED SHEET.
N1, N2, N3 and N4 represent strand numbers, and XXX represents sheet identifiers.
When the remark for several bifurcated sheets is used, its last line is repeated for the appropriate number of bifurcated sheets, as shown in the last template above.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 700 REMARK 700 SHEET REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, REMARK 700 TWO SHEETS are defined. STRANDS 3, 4, AND 5 REMARK 700 OF SHEET *B2A* AND *B2B* ARE IDENTICAL. STRANDS 3, 4, AND REMARK 700 5 OF SHEET *B2C* AND *B2D* ARE IDENTICAL. REMARK 700 REMARK 700 SHEET REMARK 700 STRANDS 1 TO 4 OF THE BETA-SHEET HAVE GREEK-KEY TOPOLOGY. REMARK 700 THE SHEET FORMS A FIVE-STRANDED BETA-BARREL WITH BULGES IN REMARK 700 STRANDS 3 AND 5. IN ORDER TO REPRESENT THIS FEATURE IN THE REMARK 700 SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. REMARK 700 REMARK 700 SHEET REMARK 700 THE SHEET PRESENTED AS S5 ON SHEET RECORDS BELOW IS REMARK 700 ACTUALLY A 6-STRANDED BETA-BARREL. THIS IS REMARK 700 REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND REMARK 700 LAST STRANDS ARE IDENTICAL.
Further details on the turns.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 750 REMARK 750 TURN REMARK 750 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 750 REMARK 750 TURN REMARK 750 TURN_ID: T4, TYPE I (ONE OR MORE OF THE PHI, PSI ANGLES REMARK 750 DEVIATE BY MORE THAN PLUS,MINUS 45 DEGREES FROM THE IDEAL REMARK 750 VALUES USED BY WILMOT & THORNTON(1989)). REMARK 750 REMARK 750 TURN_ID: T10, TYPE I (ONE OR MORE OF THE PHI, PSI ANGLES REMARK 750 DEVIATE BY MORE THAN PLUS,MINUS 45 DEGREES FROM THE IDEAL REMARK 750 VALUES USED BY WILMOT & THORNTON(1989)). REMARK 750 REMARK 750 TURN_ID: T16, TYPE VIII (ONE OR MORE OF THE PHI, PSI REMARK 750 ANGLES DEVIATE BY MORE THAN PLUS,MINUS 45 DEGREES FROM REMARK 750 THE IDEAL VALUES USED BY WILMOT & THORNTON(1989)).
Further details on the site contents of the entry.
Remark 800 is mandatory if site records exist.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: FREE TEXT GOES HERE. REMARK 800 SITE_DESCRIPTION: FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: RCA REMARK 800 SITE_DESCRIPTION: DESIGNATED RECOGNITION REGION IN PRIMARY REMARK 800 REFERENCE. PROPOSED TO AFFECT SUBSTRATE SPECIFICITY. REMARK 800 REMARK 800 SITE_IDENTIFIER: RCB REMARK 800 SITE_DESCRIPTION: DESIGNATED RECOGNITION REGION IN PRIMARY REMARK 800 REFERENCE. PROPOSED TO AFFECT SUBSTRATE SPECIFICITY.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 850 REMARK 850 CORRECTION BEFORE RELEASE REMARK 850 ORIGINAL DEPOSITION REVISED PRIOR TO RELEASE REMARK 850 DATE REVISED: DD-MMM-YYYY TRACKING NUMBER: T?
DD is a number 01 through 31, MMM is a 3 letter abbreviation for the month, and YYYY is the year.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 850 REMARK 850 CORRECTION BEFORE RELEASE REMARK 850 ORIGINAL DEPOSITION REVISED PRIOR TO RELEASE REMARK 850 DATE REVISED: 13-FEB-1996 TRACKING NUMBER: T7770 REMARK 850 DATE REVISED: 10-APR-1996 TRACKING NUMBER: T8125
Further details on corrections that have been made to the PDB entry, as referred to in the REVDAT record.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 860 REMARK 860 CORRECTION AFTER RELEASE REMARK 860 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 860 REMARK 860 CORRECTION REMARK 860 CORRECT RESIDUE IDENTIFICATION ON SITE RECORDS. ADD REMARK 860 RESIDUE TO SITE RECORDS. 15-JUL-81. REMARK 860 REMARK 860 CORRECT DATES IN REMARKS 7 AND 16. 15-JAN-82. REMARK 860 REMARK 860 CORRECT ATOM NAME FOR ATOM 6 FROM CG2 TO CG1. 07-MAR-83. REMARK 860 REMARK 860 CHANGE RESIDUE 122 FROM ASN TO ASP. ADD REFERENCE. REMARK 860 12-MAY-83. REMARK 860 REMARK 860 INSERT REVDAT RECORDS. 30-SEP-83. REMARK 860 REMARK 860 CORRECT CODEN FOR REFERENCE 1. 27-OCT-83.
This remark gives ID codes of PDB files related to the entry. These may include coordinate entries deposited as a related set, the structure factor or NMR restraint file related to the entry, or the file containing the biologically functional molecule ("biomolecule") generated by the PDB from symmetry records.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 THE BIOMOLECULE RELATED TO THIS ENTRY HAS BEEN GENERATED REMARK 900 AND IS AVAILABLE AS PDB FILE BIO1ABC.PDB REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 THE STRUCTURE FACTORS FOR THIS EXPERIMENT ARE AVAILABLE AS REMARK 900 PDB FILE R1ABCSF.ENT REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 THE LIST OF EXPERIMENTAL RESTRAINTS IS AVAILABLE AS PDB REMARK 900 FILE 1ABC.MR REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 THE BIOMOLECULE IS AVAILABLE AS PDB FILE BIO1ABC.PDB
Further details on the sequence.
For cases where there are gaps in the structure as reflected in missing ATOM records missing N-terminus and C-terminus residues are delineated in REMARK 999 records, whereas internal structural gaps are represented in SEQADV records. Several cases must be considered when evaluating these REMARK 999 records:
1. The missing N-terminus atoms are not found in the ATOM record as they represent precursor sequence and are not found in the mature protein.
2. The missing N-terminus residues were not found in the density map. Although PDB will attempt to flag these as SEQADV records, we cannot guarantee that they will always be handled uniformly. The primary reason for this inconsistency is that in a number of cases, neither PDB nor the depositors, are certain where chains start and end.
Template
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 999 REMARK 999 SEQUENCE REMARK 999 FREE TEXT GOES HERE.
Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 REMARK 999 REMARK 999 SEQUENCE REMARK 999 1ARL SWS P00730 1 - 110 NOT IN ATOMS LIST REMARK 999 1ARL SWS P00730 418 - 419 NOT IN ATOMS LIST REMARK 999 REMARK 999 REFERENCE REMARK 999 REFERENCE: PETRA, ET AL., (1971) BIOCHEMISTRY 10, PP REMARK 999 4023-4025. REMARK 999 REMARK 999 SHOHAM, G., NECHUSHTAI, R., STEPPUN, J.,NELSON, H., REMARK 999 NELSON N., UNPUBLISHED RESULTS. REMARK 999 REMARK 999 LE HUEROU,I., GUILLOTEAU P., TOULLEC, R., PUIGSERVER, A., REMARK 999 WICKER,C., (1991) BIOCHEMICAL, BIOPHYSICAL RESEARCH REMARK 999 COMM., 175, PP 110 - 116. REMARK 999 REMARK 999 THE SEQUENCE USED IS THAT PROVIDED BY THE CDNA, WHICH REMARK 999 CORRECTS SEVERAL ASP/ASN AND GLU/GLN MISASSIGNMENTS. REMARK 999 REMARK 999 SEQUENCE REMARK 999 MET A 1 - MET A 1 - MISSING FROM SWS P10599 REMARK 999 1CQG B SWS P27695 1 - 57 NOT IN ATOMS LIST REMARK 999 1CQG B SWS P27695 71 - 317 NOT IN ATOMS LIST REMARK 999 REMARK 999 THR AT POSITION 74 WAS FOUND BY WOLMAN ET AL., JOURNAL OF REMARK 999 BIOCHEMISTRY 263, 15506 (1988).