Structure of PDB 8j5o Chain C Binding Site BS05

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 503 [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)	Y205 G208 L209 T212 M229 M232 N233 C240 C243 H244 F249 P250 K257 S260
Binding residue (residue number reindexed from 1)	Y200 G203 L204 T207 M224 M227 N228 C235 C238 H239 F244 P245 K252 S255
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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External links

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

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