PDB Entry (3lcw)
PDB ID: 3lcw Resolution: 2.35 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
Protein Name: N-acetylneuraminate lyase
Uniprot ID/ACC: P0A6L4 (NANA_ECOLI) Organism: Escherichia coli (strain K12)
Gene Symbol: nanA Gene ID: 58460006
Protein Class: LYASE
Ligand
Ligand Name:   3-hydroxypyruvate
Canonical SMILES:   OCC(=O)C(O)=O
Standard InChI:   InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
HET Code:   3PY PubChem:   964
DrugBank:   DB02951 ChEMBL:   CHEMBL1230192
Molecular Formula:   C3H4O4 Mol. Weight:   104.010956 logP:   -1.3676
HBD:   2 HBA:   3
#Rotatable Bonds:   2 TPSA:   74.6
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Imine Condensation LYS 165 A 13.15 4.61 Ketone
Binding Affinity
-