Structure of PDB 3dv0 Chain D Binding Site BS02

Receptor Information
>3dv0 Chain D (length=324) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQMTMVQAITDALRIELKNDPNVLIFGEDVGVNGGVFRATEGLQAEFGED
RVFDTPLAESGIGGLAIGLALQGFRPVPEIQFFGFVYEVMDSICGQMARI
RYRTGGRYHMPITIRSPFGGGVHTPELHSDSLEGLVAQQPGLKVVIPSTP
YDAKGLLISAIRDNDPVIFLEHLKLYRSFRQEVPEGEYTIPIGKADIKRE
GKDITIIAYGAMVHESLKAAAELEKEGISAEVVDLRTVQPLDIETIIGSV
EKTGRAIVVQEAQRQAGIAANVVAEINERAILSLEAPVLRVAAPDTVYPF
AQAESVWLPNFKDVIETAKKVMNF
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain3dv0 Chain D Residue 502 [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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PDB3dv0 Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F82 H128
Binding residue
(residue number reindexed from 1)		F82 H128
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E59 E88 H128
Catalytic site (residue number reindexed from 1) E59 E88 H128
Enzyme Commision number 1.2.4.1: pyruvate dehydrogenase (acetyl-transferring).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004739 pyruvate dehydrogenase (acetyl-transferring) activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:3dv0, PDBe:3dv0, PDBj:3dv0
PDBsum3dv0
PubMed19081062
UniProtP21874|ODPB_GEOSE Pyruvate dehydrogenase E1 component subunit beta (Gene Name=pdhB)

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