Structure of PDB 8wdu Chain C Binding Site BS04

Receptor Information
>8wdu 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 chain8wdu Chain C Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wdu 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)		H144 V145 T148 V150 L243 Q265 T268 A272 V276 C307 C310 H311 Y315 K316 P317
Binding residue
(residue number reindexed from 1)		H122 V123 T126 V128 L221 Q243 T246 A250 V254 C285 C288 H289 Y293 K294 P295
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:8wdu, PDBe:8wdu, PDBj:8wdu
PDBsum8wdu
PubMed38347078
UniProtO82947|CYCR_ALLVD Photosynthetic reaction center cytochrome c subunit (Gene Name=pufC)

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