Structure of PDB 8tpj Chain B Binding Site BS01

Receptor Information
>8tpj Chain B (length=296) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AADVVPATIARFSQLNAEDQLALIWFAYLEMGKTLTIAAPGAASMQLAEN
ALKEIQAMGPLQQTQAMCDLANRADTPLCRTYASWSPNIKLGFWYRLGEL
MEQGFVAPIPAGYQLSANANAVLATIQGLESGQQITVLRNAVVDMGFTAG
KDGKRIAEPVVPPRTKVSIEGVTNATVLNYMDNLNANDFDTLIELFTSDG
ALQPPFQRPIVGKENVLRFFREECQNLKLIPERGVTEPAEDGFTQIKVTG
KVQTPWFGGNVGMNIAWRFLLNPEGKIFFVAIDLLASPKELLNFAR
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 chain8tpj Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tpj Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E34 L37 A38 I40 W41 Y44 M47 A54 A55 A58 M83 N104 L107 W110 Y111 G114 M117 I125 P126 Y129 I151 V176
Binding residue
(residue number reindexed from 1)		E18 L21 A22 I24 W25 Y28 M31 A38 A39 A42 M67 N88 L91 W94 Y95 G98 M101 I109 P110 Y113 I135 V160
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:8tpj, PDBe:8tpj, PDBj:8tpj
PDBsum8tpj
PubMed38578996
UniProtP74102|OCP_SYNY3 Orange carotenoid-binding protein (Gene Name=slr1963)

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