Structure of PDB 1gm4 Chain A Binding Site BS03
Receptor Information
>1gm4 Chain A (length=107) Species:
876
(Desulfovibrio desulfuricans) [
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APAVPDKPVEVKGSQKTVMFPHAPHEKVECVTCHHLVDGKESYAKCGSSG
CHDDLTAKKGEKSLYYVVHARGELKHTSCLACHSKVVAEKPELKKDLTGC
AKSKCHP
Ligand information
Ligand ID
HEC
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKey
HXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0
CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341
C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341
CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
Formula
C34 H34 Fe N4 O4
Name
HEME C
ChEMBL
DrugBank
ZINC
PDB chain
1gm4 Chain A Residue 203 [
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Receptor-Ligand Complex Structure
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PDB
1gm4
Conformational Component in the Coupled Transfer of Multiple Electrons and Protons in a Monomeric Tetraheme Cytochrome.
Resolution
2.05 Å
Binding residue
(original residue number in PDB)
F20 H25 V28 C79 C82 H83 L97 K104
Binding residue
(residue number reindexed from 1)
F20 H25 V28 C79 C82 H83 L97 K104
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0009055
electron transfer activity
GO:0020037
heme binding
GO:0046872
metal ion binding
View graph for
Molecular Function
External links
PDB
RCSB:1gm4
,
PDBe:1gm4
,
PDBj:1gm4
PDBsum
1gm4
PubMed
11551953
UniProt
Q9L915
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