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PDB File Format v. 3.2
Page 143
REMARK 620 (added), Metal coordination
Details of metal coordination are provided in REMARK 620. By default, coordination angles for any
metal coordination and surrounding residues (if present) will be provided in this REMARK.
Template:
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REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 N RES CSSEQI ATOM
Example
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 F3S A 107 FE1
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 39 SG
REMARK 620 2 F3S A 107 FE3 142.2
REMARK 620 3 F3S A 107 FE4 154.3 59.7
REMARK 620 4 F3S A 107 S1 120.2 53.8 55.7
REMARK 620 5 F3S A 107 S2 113.0 103.5 54.3 106.6
REMARK 620 6 F3S A 107 S3 103.8 53.0 101.7 103.2 109.2
REMARK 620 N 1 2 3 4 5
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 F3S A 107 FE3
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 F3S A 107 FE1
REMARK 620 2 F3S A 107 FE4 59.0
REMARK 620 3 F3S A 107 S1 52.7 55.1
REMARK 620 4 F3S A 107 S3 52.9 101.0 102.1
REMARK 620 5 CYS A 45 SG 146.5 146.2 115.6 112.8
REMARK 620 6 F3S A 107 S4 103.5 54.5 106.3 109.6 110.0
REMARK 620 N 1 2 3 4 5
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 F3S A 107 FE4
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 F3S A 107 FE1
REMARK 620 2 F3S A 107 FE3 61.3
REMARK 620 3 F3S A 107 S1 53.4 53.9