Structure of PDB 8w4p Chain 3 Binding Site BS01

Receptor Information
>8w4p Chain 3 (length=163) Species: 29205 (Stephanocyclus meneghinianus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENEIGALAPTGFFDPAKLSDGISQEKFDQYRLAELKHGRAAMLAVLGYVA
PETYRFGYDLIPGELSTRDIPNGVAALNAIPFGGWVQMIAFVGTVEAYGW
FTSPTGVLDLPADILAKRQTSELQHGRLAMLAFLELIRHDSQNLAQPGFD
GYDNLITGLPFLY
Ligand information
Ligand IDA86
InChIInChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1
InChIKeySJWWTRQNNRNTPU-XJUZQKKNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C
ACDLabs 12.01C\C(=C/C=C/C=C(/C=C/C=C(\C)C(=O)CC12C(C)(CC(O)CC1(C)O2)C)C)[C@H]=C[C@H]=C([C@H]=C=C3\C(C)(C)CC(CC3(O)C)OC(=O)C)C
OpenEye OEToolkits 2.0.6C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O
CACTVS 3.385CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)C[C]23O[C]2(C)C[CH](O)CC3(C)C)[C](C)(O)C1
CACTVS 3.385CC(=O)O[C@H]1CC(C)(C)[C](=[C@@]=[CH]C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1
FormulaC42 H58 O6
Name(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate;
Fucoxanthin
ChEMBL
DrugBankDB15462
ZINC
PDB chain8w4p Chain 3 Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8w4p Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Resolution3.48 Å
Binding residue
(original residue number in PDB)		M74 S135 A164 L168 I188 T189 G190
Binding residue
(residue number reindexed from 1)		M42 S103 A132 L136 I156 T157 G158
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
Biological Process
GO:0009416 response to light stimulus
GO:0009765 photosynthesis, light harvesting
GO:0009768 photosynthesis, light harvesting in photosystem I
GO:0015979 photosynthesis
Cellular Component
GO:0009536 plastid
GO:0016020 membrane
GO:0030076 light-harvesting complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8w4p, PDBe:8w4p, PDBj:8w4p
PDBsum8w4p
PubMed38071196
UniProtB8BVI1

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