Structure of PDB 7sc9 Chain BH Binding Site BS01

Receptor Information
>7sc9 Chain BH (length=300) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIFPNTLAADVVPATIARFSQLNAEDQLALIWFAYLEMGKTLTIAAPGAA
SMQLAENALKEIQAMGPLQQTQAMCDLANRADTPLCRTYASWSPNIKLGF
WYRLGELMEQGFVAPIPAGYQLSANANAVLATIQGLESGQQITVLRNAVV
DMGFTAGKDGKRIAEPVVPASRTKVSIEGVTNATVLNYMDNLNANDFDTL
IELFTSDGALQPPFQRPIVGKENVLRFFREECQNLKLIPERGVTEPAEDG
FTQIKVTGKVQTPWFGGNVGMNIAWRFLLNPEGKIFFVAIDLLASPKELL
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 chain7sc9 Chain BH Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7sc9 Structures of a phycobilisome in light-harvesting and photoprotected states.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L37 I40 W41 Y44 M47 A54 A55 M83 L107 W110 Y111 M117 I125 P126 Y129 I151 E174 V176
Binding residue
(residue number reindexed from 1)		L28 I31 W32 Y35 M38 A45 A46 M74 L98 W101 Y102 M108 I116 P117 Y120 I142 E165 V167
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009881 photoreceptor activity
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:7sc9, PDBe:7sc9, PDBj:7sc9
PDBsum7sc9
PubMed36045294
UniProtP74102|OCP_SYNY3 Orange carotenoid-binding protein (Gene Name=slr1963)

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