Structure of PDB 8j5o Chain C Binding Site BS03

Receptor Information

>8j5o Chain C (length=315) Species: 383372 (Roseiflexus castenholzii DSM 13941) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PTLFPEITNTVRGRFYIVAGIISVVMAVASIAIFWWIFYTITPAPAPPLQ
NPIYVNYTQEPTDYISAESLAAMNAYIQANPQPQAVQVLKGMTTAQISAY
MVAQVSGGLKVDCSYCHNIANFAQQDGYPNAAKKVTARKMMLMSADLNQN
YTAKLPASVGGYQITCATCHNGKAAGLEPYPIEIMNTLPNDWRLPLELDY
PGGLVVTGRKDVSNHEVEQNQFAMYHMNVSMGQGCTFCHNARYFPSYEIA
QKNHSIIMLQMTKHIQETYVAPGGRIADGIMAGKSPSCWLCHQGANIPPG
AAKPGQVPAVLSSTP

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

PDB chain

8j5o Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8j5o Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	M78 Y81 Q89 V91 Q92 V93 M106 V107 V110 S111 C118 C121 H122 K139 A142 R143 M146
Binding residue (residue number reindexed from 1)	M73 Y76 Q84 V86 Q87 V88 M101 V102 V105 S106 C113 C116 H117 K134 A137 R138 M141
Annotation score	4

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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Cellular Component

External links

PDB	RCSB:8j5o, PDBe:8j5o, PDBj:8j5o
PDBsum	8j5o
PubMed	37737710
UniProt	A7NQE7

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