Structure of PDB 2vpx Chain C Binding Site BS01

Receptor Information
>2vpx Chain C (length=250) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEFYGLPNAQEFWHWTNALHFVLVGLAGGVALLAALLHLKGDAEARRYTL
YALMLIALDLFILWAESPARFRFTHIWLFLSFHPTSPIWWGAWGLGLGFL
TGGLLYLGKGSQRALAWALLVFSLVALSYPGLALAVNLNRPLWNGLMAGL
FPLTALVLALGLAALLKSPWALFPLRVLAGASLLLALLYPLTLPPEARGH
LLEEAGFWYGLFLLLGLGTFWQERLAPWAGLLAAAGLRALLVLAGQWQGL
Ligand information
Ligand IDUQ1
InChIInChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
InChIKeySOECUQMRSRVZQQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C
ACDLabs 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)C
FormulaC14 H18 O4
NameUBIQUINONE-1
ChEMBLCHEMBL1236594
DrugBankDB08689
ZINCZINC000001559692
PDB chain2vpx Chain C Residue 1252 [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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PDB2vpx Molecular Mechanism of Energy Conservation in Polysulfide Respiration.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		N18 H21 L64 L79 I89 Y130
Binding residue
(residue number reindexed from 1)		N17 H20 L63 L78 I88 Y129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:2vpx, PDBe:2vpx, PDBj:2vpx
PDBsum2vpx
PubMed18536726
UniProtQ72LA6

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