Overview
The HYDBND records specify hydrogen bonds in the entry.
Record Format
COLUMNS DATA TYPE FIELD DEFINITION --------------------------------------------------------------------------------- 1 - 6 Record name "HYDBND" 13 - 16 Atom name1 Atom name. 17 Character altLoc1 Alternate location indicator. 18 - 20 Residue name resName1 Residue name. 22 Character Chain1 Chain identifier. 23 - 27 Integer resSeq1 Residue sequence number. 28 AChar ICode1 Insertion code. 30 - 33 Atom nameH Hydrogen atom name. 34 Character altLocH Alternate location indicator. 36 Character ChainH Chain identifier. 37 - 41 Integer resSeqH Residue sequence number. 42 AChar iCodeH Insertion code. 44 - 47 Atom name2 Atom name. 48 Character altLoc2 Alternate location indicator. 49 - 51 Residue name resName2 Residue name. 53 Character chainID2 Chain identifier. 54 - 58 Integer resSeq2 Residue sequence number. 59 AChar iCode2 Insertion code. 60 - 65 SymOP sym1 Symmetry operator for 1st non-hydrogen atom. 67 - 72 SymOP sym2 Symmetry operator for 2nd non-hydrogen atom.
Details
* The hydrogen bonds listed normally are those supplied by the depositor.
* The atoms forming the hydrogen bond are listed on the HYDBND record.
* Each record has place for three atom specifications.
* Columns 13 - 28 and 44 - 59 are for the atoms associated with the hydrogen atom of the hydrogen bond.
* If the coordinates of the hydrogen atom itself are presented in the entry, that atom is specified in columns 30 - 42.
* For nucleic acids, Watson-Crick hydrogen bonds between bases may be listed, but this is optional.
* sym1 and sym2 are given as blank when the identity operator (and no cell translation) is to be applied to the atom. For hydrogen atoms use the symmetry operator of the heavy atom to which it is bonded.
Verification/Validation/Value Authority Control
The distance between the atoms listed must be consistent with the bonding.
Relationships to Other Record Types
CONECT records are generated consistent with the bond type. If symmetry operators are given to generate one of the residues involved in the hydrogen bond, REMARK200 defines the symmetry transformation.
Example
1 2 3 4 5 6 7 123456789012345678901234567890123456789012345678901234567890123456789012 HYDBND N LEU 10 AO3* NDP 501 HYDBND NH2 ARG 111 OD1 ASP 149 1555