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 |
||
- |