Structure of PDB 7zsf Chain A Binding Site BS01

Receptor Information
>7zsf Chain A (length=312) Species: 1142 (Synechocystis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIDSARGIFPNTLAADVVPATIARFSQLNAEDQLALIWFAYLEMGKTLTI
AAPGAASMQLAENALKEIQAMGPLQQTQAMCDLANRADTPLCRTYASWSP
NIKLGFWYRLGELMEQGFVAPIPAGYQLSANANAVLATIQGLESGQQITV
LRNAVVDMGFTAGKDGKRIAEPVVPPQDTASRTKVSIEGVTNATVLNYMD
NLNANDFDTLIELFTSDGALQPPFQRPIVGKENVLRFFREECQNLKLIPE
RGVTEPAEDGFTQIKVTGKVQTPWFGGNVGMNIAWRFLLNPEGKIFFVAI
DLLASPKELLNF
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 chain7zsf Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7zsf Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		L37 I40 Y44 L107 W110 Y111 G114 I151 T152 R155 Y201 L205 C245 T275 W277 F278 M284 W288 I303
Binding residue
(residue number reindexed from 1)		L34 I37 Y41 L104 W107 Y108 G111 I148 T149 R152 Y198 L202 C242 T272 W274 F275 M281 W285 I300
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zsf, PDBe:7zsf, PDBj:7zsf
PDBsum7zsf
PubMed36307413
UniProtP74102|OCP_SYNY3 Orange carotenoid-binding protein (Gene Name=slr1963)

[Back to BioLiP]