Structure of PDB 3car Chain A Binding Site BS04
Receptor Information
>3car Chain A (length=103) Species:
873
(Desulfocurvibacter africanus) [
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EEDMTHVPTDAFGKLERPAAVFNHDEHNEKAGIESCNACHHVWVNGVLAE
DEDSVGTPCSDCHALEQDGDTPGLQDAYHQQCWGCHEKQAKGPVMCGECH
VKN
Ligand information
Ligand ID
HEM
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,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
3car Chain A Residue 107 [
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Receptor-Ligand Complex Structure
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PDB
3car
Crystal structure of the oxidised and reduced acidic cytochrome c3from Desulfovibrio africanus.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
V7 T9 F12 L15 E16 R17 A19 A20 Q75 Y78 H79 W83 H86 C96 C99 H100
Binding residue
(residue number reindexed from 1)
V7 T9 F12 L15 E16 R17 A19 A20 Q75 Y78 H79 W83 H86 C96 C99 H100
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:0009061
anaerobic respiration
Cellular Component
GO:0042597
periplasmic space
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Molecular Function
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Cellular Component
External links
PDB
RCSB:3car
,
PDBe:3car
,
PDBj:3car
PDBsum
3car
PubMed
10398589
UniProt
P94690
|CYC3A_DESAF Acidic cytochrome c3
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