Structure of PDB 8wdv Chain C Binding Site BS02

Receptor Information
>8wdv Chain C (length=311) Species: 572477 (Allochromatium vinosum DSM 180) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CERPPPEVVQKGYRGVAMEQNYNPRLLEASIKANLPVESLPAAAPGGPSV
SDVYENVQVLKDLSVAEFTRTMVAVTTWVAPKEGCNYCHVPGNWASDDIY
TKVVSRRMFELVRATNSNWKDHVAETGVTCYTCHRGNPVPKYVWVTDPGP
NQPSGVTPTGQNYASSTVAYSALPLDPYTPFLDQSNEIRVIGQTALPAGN
TTSLKQAEWTYGLMMQISDSLGVNCTFCHNSRSFYDWKQSTPQRTTAWYA
IRHVRDINQNYIWPLNDALPASRKGPYGDPFKVGCMTCHQGAYKPLYGAQ
MAKDYPALYES
Ligand information
Ligand IDHEM
InChIInChI=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-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(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 3.385CC1=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 12.01C=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
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain8wdv Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wdv High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum
Resolution2.24 Å
Binding residue
(original residue number in PDB)		V101 Y109 Y122 V126 M130 F131 V134 C152 C155 H156 P160 V161 P162 R295 F303 V305
Binding residue
(residue number reindexed from 1)		V79 Y87 Y100 V104 M108 F109 V112 C130 C133 H134 P138 V139 P140 R273 F281 V283
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
Biological Process
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0030077 plasma membrane light-harvesting complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wdv, PDBe:8wdv, PDBj:8wdv
PDBsum8wdv
PubMed38347078
UniProtO82947|CYCR_ALLVD Photosynthetic reaction center cytochrome c subunit (Gene Name=pufC)

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