Structure of PDB 8kde Chain X Binding Site BS01

Receptor Information
>8kde Chain X (length=35) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVTPSLKNFLGSLIAGATVLGGIALAITAVSKFDK
Ligand information
Ligand IDVTQ
InChIInChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKeyLTVDFSLWFKLJDQ-IEOSBIPESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C
ACDLabs 10.04O=C1C(=C(C(=O)C(=C1CCC(O)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCC[C](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C
FormulaC29 H50 O3
NameRRR-ALPHA-TOCOPHERYLQUINONE
ChEMBLCHEMBL1223852
DrugBankDB14094
ZINCZINC000008214693
PDB chain8kde Chain X Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8kde Structural basis for an early stage of the photosystem II repair cycle in Chlamydomonas reinhardtii.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		V93 D97
Binding residue
(residue number reindexed from 1)		V30 D34
Annotation score1
Gene Ontology
Cellular Component
GO:0009523 photosystem II
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:8kde, PDBe:8kde, PDBj:8kde
PDBsum8kde
PubMed38890314
UniProtA8I846

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