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
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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
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REMARK 5
REMARK 5 WARNING
REMARK 5 XXXX: FREE TEXT GOES HERE.
XXXX refers to the ID code of the entry.
Example
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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.
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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REMARK 285
REMARK 285 CRYST1
REMARK 285 FREE TEXT GOES HERE.
Example
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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
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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
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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
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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
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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
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REMARK 300
REMARK 300 BIOMOLECULE
REMARK 300 FREE TEXT DESCRIPTION OF THE BIOLOGICALLY FUNCTIONAL
REMARK 300 MOLECULE.
Example
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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.
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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
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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.
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REMARK 375
REMARK 375 SPECIAL POSITION
REMARK 375 FREE TEXT GOES HERE.
Example
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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.
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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
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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.
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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.
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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
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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.
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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.
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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
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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
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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
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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
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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.
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REMARK 525
REMARK 525 SOLVENT
REMARK 525 FREE TEXT GOES HERE.
Example
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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.
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REMARK 550
REMARK 550 SEGID
REMARK 550 FREE TEXT GOES HERE.
Example
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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.
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REMARK 600
REMARK 600 HETEROGEN
REMARK 600 FREE TEXT GOES HERE.
Example
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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.
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REMARK 650
REMARK 650 HELIX
REMARK 650 FREE TEXT GOES HERE.
Example
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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.
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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
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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.
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REMARK 750
REMARK 750 TURN
REMARK 750 FREE TEXT GOES HERE.
Example
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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.
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REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: FREE TEXT GOES HERE.
REMARK 800 SITE_DESCRIPTION: FREE TEXT GOES HERE.
Example
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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.
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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
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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.
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REMARK 860
REMARK 860 CORRECTION AFTER RELEASE
REMARK 860 FREE TEXT GOES HERE.
Example
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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.
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REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 FREE TEXT GOES HERE.
Example
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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.
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REMARK 999
REMARK 999 SEQUENCE
REMARK 999 FREE TEXT GOES HERE.
Example
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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).