Structure of PDB 1wa3 Chain F Binding Site BS01

Receptor Information
>1wa3 Chain F (length=201) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVI
KELSFLKEKGAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKE
KGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNVK
FVPTGGVNLDNVCEWFKAGVLAVGVGSALVKGTPDEVREKAKAFVEKIRG
C
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 chain1wa3 Chain F Residue 1204 [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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PDB1wa3 Mechanism of the Class I Kdpg Aldolase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R17 T69 S89 P90 K129 F131
Binding residue
(residue number reindexed from 1)		R15 T67 S87 P88 K127 F129
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E40 T44 K129
Catalytic site (residue number reindexed from 1) E38 T42 K127
Enzyme Commision number 4.1.2.14: 2-dehydro-3-deoxy-phosphogluconate aldolase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1wa3, PDBe:1wa3, PDBj:1wa3
PDBsum1wa3
PubMed16403639
UniProtQ9WXS1

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