Structure of PDB 1wa3 Chain A Binding Site BS01

Receptor Information
>1wa3 Chain A (length=202) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTV
IKELSFLKEKGAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCK
EKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNV
KFVPTGGVNLDNVCEWFKAGVLAVGVGSALVKGTPDEVREKAKAFVEKIR
GC
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 A 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)		R16 T68 S88 P89 K128 F130
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E40 T44 K129
Catalytic site (residue number reindexed from 1) E39 T43 K128
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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