Structure of PDB 8u8w Chain A Binding Site BS01

Receptor Information
>8u8w Chain A (length=297) Species: 1028307 (Klebsiella aerogenes KCTC 2190) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMVSHLRGVMPALLTPFDAQQNIDRASLRRLVRFNIEQGVDGVYVGGSTG
EAFVQSLSEREEVLEIVAEEAKGKITLIAHVGCVSTAESQQLAAAAKRYG
FDAVSAVTPFYYPFSFEEHCDHYRAIIDSADGIPMVVYNIPALSGVKLTL
EQINQLVTLPGVGALKQTSGDLYQMEQIRRAHPELVLYNGYDEIFASGLL
AGADGGIGSTYNIMAWRYLGIVQALKEGDTAKAQQLQHECNKVIDLLVKV
GVFRGLKTVLHYMDVLSVPLCRKPFAPVEDKFQAELKALAQQLMQER
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 chain8u8w Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u8w Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate and halides bound)
Resolution1.8 Å
Binding residue
(original residue number in PDB)		A11 G46 S47 T48 Y137 K165
Binding residue
(residue number reindexed from 1)		A12 G47 S48 T49 Y138 K166
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.3.3: N-acetylneuraminate lyase.
Gene Ontology
Molecular Function
GO:0008747 N-acetylneuraminate lyase activity
GO:0016829 lyase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0019262 N-acetylneuraminate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8u8w, PDBe:8u8w, PDBj:8u8w
PDBsum8u8w
PubMed
UniProtA0A0H3FJT8

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