Structure of PDB 1co6 Chain A Binding Site BS01
Receptor Information
>1co6 Chain A (length=107) Species:
1079
(Blastochloris viridis) [
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QDAASGEQVFKQCLVCHSIGPGAKNKVGPVLNGLFGRHSGTIEGFAYSDA
NKNSGITWTEEVFREYIRDPKAKIPGTKMIFAGVKDEQKVSDLIAYIKQF
NADGSKK
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
1co6 Chain A Residue 108 [
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Receptor-Ligand Complex Structure
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PDB
1co6
Refined crystal structure of ferrocytochrome c2 from Rhodopseudomonas viridis at 1.6 A resolution.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
C13 C16 H17 P29 S39 Y47 S48 N51 W58 F63 I67 T77 K78 M79 F81
Binding residue
(residue number reindexed from 1)
C13 C16 H17 P29 S39 Y47 S48 N51 W58 F63 I67 T77 K78 M79 F81
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
Biological Process
GO:0015979
photosynthesis
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:1co6
,
PDBe:1co6
,
PDBj:1co6
PDBsum
1co6
PubMed
7674304
UniProt
P00083
|CYC2_BLAVI Cytochrome c2 (Gene Name=cycA)
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