Structure of PDB 1w85 Chain J Binding Site BS01

Receptor Information
>1w85 Chain J (length=34) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIAMPSVRKYAREKGVDIGTGKNGRVLKEDIDAF
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1w85 Chain A Residue 1368 [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]
PDB1w85 A molecular switch and proton wire synchronize the active sites in thiamine enzymes.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A165 F166
Binding residue
(residue number reindexed from 1)		A33 F34
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.12: dihydrolipoyllysine-residue acetyltransferase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:1w85, PDBe:1w85, PDBj:1w85
PDBsum1w85
PubMed15514159
UniProtP11961|ODP2_GEOSE Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Gene Name=pdhC)

[Back to BioLiP]