Structure of PDB 8hjv Chain C Binding Site BS04

Receptor Information
>8hjv Chain C (length=291) Species: 383372 (Roseiflexus castenholzii DSM 13941) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VMAVASIAIFWWIFYTITPAPAPPLQNPIYVNYTQEPTDYISAESLAAMN
AYIQANPQPQAVQVLKGMTTAQISAYMVAQVSGGLKVDCSYCHNIANFAQ
QDGYPNAAKKVTARKMMLMSADLNQNYTAKLPASVGGYQITCATCHNGKA
AGLEPYPIEIMNTLPNDWRLPLELDYPGGLVVTGRKDVSNHEVEQNQFAM
YHMNVSMGQGCTFCHNARYFPSYEIAQKNHSIIMLQMTKHIQETYVAPGG
RIADGIMAGKSPSCWLCHQGANIPPGAAKPGQVPAVLSSTP
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 chain8hjv Chain C Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hjv Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		V164 G165 I169 M236 Q256 M263 L264 C293 C296 H297
Binding residue
(residue number reindexed from 1)		V135 G136 I140 M207 Q227 M234 L235 C264 C267 H268
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:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0016020 membrane
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:8hjv, PDBe:8hjv, PDBj:8hjv
PDBsum8hjv
PubMed37737710
UniProtA7NQE7

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