Structure of PDB 8hju Chain C Binding Site BS04

Receptor Information

>8hju 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

8hju 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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Structure summary

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PDB	8hju Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	M78 Q89 V91 V93 L94 I102 M106 V107 V110 C118 C121 H122 F127 K139 A142 R143 M146
Binding residue (residue number reindexed from 1)	M73 Q84 V86 V88 L89 I97 M101 V102 V105 C113 C116 H117 F122 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:8hju, PDBe:8hju, PDBj:8hju
PDBsum	8hju
PubMed	37737710
UniProt	A7NQE7

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