Structure of PDB 2o9a Chain C Binding Site BS01

Receptor Information
>2o9a Chain C (length=182) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHMSRNLLAIVHPILRNLMEESGETVNMAVLDQSDHEAIIIDQVQCTHLM
RMSAPIGGKLPMHASGAGKAFLAQLSEEQVTKLLHRKGLHAYTHATLVSP
VHLKEDLAQTRKRGYSFDDEEHALGLRCLAACIFDEHREPFAAISISGPI
SRITDDRVTEFGAMVIKAAKEVTLAYGGMRGS
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 chain2o9a Chain C Residue 907 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2o9a Glyoxylate and Pyruvate Are Antagonistic Effectors of the Escherichia coli IclR Transcriptional Regulator.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S65 G66 D118 C128 S145 S147
Binding residue
(residue number reindexed from 1)		S65 G66 D118 C128 S145 S147
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2o9a, PDBe:2o9a, PDBj:2o9a
PDBsum2o9a
PubMed17426033
UniProtP16528|ICLR_ECOLI Transcriptional repressor IclR (Gene Name=iclR)

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