Structure of PDB 8hju Chain N Binding Site BS04

Receptor Information
>8hju Chain N (length=38) Species: 383372 (Roseiflexus castenholzii DSM 13941) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPFEFRTSVVVSTLLGLVMALLIHFVVLSSGAFNWLRA
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 N Residue 103 [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)		S15 T16 G19 M22
Binding residue
(residue number reindexed from 1)		S12 T13 G16 M19
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042314 bacteriochlorophyll binding
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872 metal ion binding
Biological Process
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0019866 organelle inner membrane
GO:0030076 light-harvesting complex
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
UniProtQ83XD1

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