Structure of PDB 8qx5 Chain A Binding Site BS01

Receptor Information
>8qx5 Chain A (length=158) Species: 1117 (Cyanobacteriota) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQAFGIQTGDAVASTITVFQALSIDDQLAVLWYAYTEMGRSITPAATGAA
RLQLAEGLLNQIKQMSHAEQLQVMRDLAAKNNTQVSRSYGILSNNTKLAF
WYELSELMVKGFVVPVPTDYKISRDGSQVLEALKGLDFGQQITVLRKVVA
DMGVDPLA
Ligand information
Ligand ID45D
InChIInChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKeyFDSDTBUPSURDBL-DKLMTRRASA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C
CACTVS 3.385CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C
OpenEye OEToolkits 1.9.2CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C
ACDLabs 12.01O=C2C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C(=O)CCC1(C)C)C)C)C)C)C)C(C)(C)CC2)C
OpenEye OEToolkits 1.9.2CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C
FormulaC40 H52 O2
Namebeta,beta-carotene-4,4'-dione;
Isomer of Canthaxanthin
ChEMBLCHEMBL1329004
DrugBank
ZINCZINC000017653971
PDB chain8qx5 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qx5 Insights into energy quenching mechanisms and carotenoid uptake by Orange carotenoid protein homologs: HCP4 and CTDH.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L41 L44 W45 Y48 I55 T60 L84 M87 L111 W114 S118 M121 V129 P130
Binding residue
(residue number reindexed from 1)		L28 L31 W32 Y35 I42 T47 L71 M74 L98 W101 S105 M108 V116 P117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0031404 chloride ion binding
Biological Process
GO:0016037 light absorption
Cellular Component
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome
GO:0031676 plasma membrane-derived thylakoid membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8qx5, PDBe:8qx5, PDBj:8qx5
PDBsum8qx5
PubMed38521321
UniProtQ8YMJ2|CROTO_NOSS1 Orange carotenoid-binding domain-containing protein (Gene Name=all4941)

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