Structure of PDB 8bd3 Chain 9 Binding Site BS18

Receptor Information
>8bd3 Chain 9 (length=222) Species: 2649997 (Chlorella ohadii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFYGPDRAKWLGPFSEGSVPSYLKGEFPGDYGWDTAGLSADPETFARYRE
IEVIHARWAMLGALGCLTPELLQNNGAADFGEAAVWFKAGASIFNEDGLN
YLGNPSLIHAQSIVAVLLTQLVIMGAAEAYRYSGEGPVETSGDSLYPGGF
FDPLGLADDPDTLAELKVKEIKNGRLAMFSMFGFFVQGLVTGKSPLENLA
DHLAEPSVNNGFASATKFLPLP
Ligand information
Ligand IDRRX
InChIInChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
InChIKeyDMASLKHVQRHNES-FKKUPVFPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
CACTVS 3.385CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C
CACTVS 3.385CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C
OpenEye OEToolkits 1.7.6CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C
ACDLabs 12.01OC2CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)C2)C
FormulaC40 H56 O
Name(3R)-beta,beta-caroten-3-ol;
beta-Cryptoxanthin
ChEMBL
DrugBankDB15914
ZINCZINC000004097702
PDB chain8bd3 Chain 9 Residue 317 [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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PDB8bd3 Structure of Chlorella ohadii Photosystem II Reveals Protective Mechanisms against Environmental Stress.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		M99 L100 L103 F190 D191 S219 F223 Q226 P234 L238
Binding residue
(residue number reindexed from 1)		M60 L61 L64 F151 D152 S180 F184 Q187 P195 L199
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0009765 photosynthesis, light harvesting
Cellular Component
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8bd3, PDBe:8bd3, PDBj:8bd3
PDBsum8bd3
PubMed37566050
UniProtA0A2P6TDA6

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