Structure of PDB 7qd2 Chain A Binding Site BS01

Receptor Information
>7qd2 Chain A (length=308) Species: 1160 (Planktothrix agardhii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSFTVDSARGIFPNTLTADVVPATIARFNQLNAEDQLALIWFAYLEMGKT
ITVAALGAANMQFAEITMNQIRQMSFQEQTQVMCDLANRTDTPISRAYGS
WTANIKLGFWYQLGEWMAQGIVAPIPSGYKLSANAASVLQAIQGLESGQQ
ITVLRNCVVDMGFDEPVVVPRDMAQRTQVTIEGIDNPTVLNYMNNMNAND
FEVLIELFTPDGALQPPFQKPIVGKDAVLRFFREECQNLKLIPERGVTEP
ADGGYTQIKVTGKVQTPWFGAGVGMNMAWRFLLSPENKIFFVAIDLLASP
KELLNLVR
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 chain7qd2 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]
PDB7qd2 Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		L37 I40 Y44 L107 W110 Y111 I151 T152 R155 Y203 C247 L250 L252 F280 M286 W290 I305
Binding residue
(residue number reindexed from 1)		L37 I40 Y44 L107 W110 Y111 I151 T152 R155 Y192 C236 L239 L241 F269 M275 W279 I294
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7qd2, PDBe:7qd2, PDBj:7qd2
PDBsum7qd2
PubMed35752265
UniProtA0A1J1JHR9

[Back to BioLiP]