Structure of PDB 8hju Chain C Binding Site BS03

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 IDKGD
InChIInChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-12,14-19,21-28H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
InChIKeyBRKQDNOGSHYATK-HNNISBQLSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1(C)(CCC(C(=C1C=[C@H]C(=[C@H]C=[C@H]C(=[C@H]C=[C@H]\C=C(/C)\C=[C@H]/C=C(/C=[C@H]/C=C(/CC\C=C(\C)C)C)C)C)C)C)=O)C
OpenEye OEToolkits 2.0.6CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C
CACTVS 3.385CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C
OpenEye OEToolkits 2.0.6CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C
CACTVS 3.385CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C
FormulaC40 H54 O
Namebeta,psi-caroten-4-one;
Keto-gamma-carotene
ChEMBL
DrugBank
ZINCZINC000059745718
PDB chain8hju Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hju Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F20 S28 M31 A32 I36
Binding residue
(residue number reindexed from 1)		F15 S23 M26 A27 I31
Annotation score1
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:8hju, PDBe:8hju, PDBj:8hju
PDBsum8hju
PubMed37737710
UniProtA7NQE7

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