PDB Entry (3kr6)
PDB ID: 3kr6 Resolution: 1.7 Å Exp. Method: X-RAY DIFFRACTION
PMID: 20392080 DOI: 10.1021/bi100365b
Protein
Protein Name: UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Uniprot ID/ACC: P0A749 (MURA_ECOLI) Organism: Escherichia coli (strain K12)
Gene Symbol: murA Gene ID: 58460036
Protein Class: TRANSFERASE
Ligand
Ligand Name:   fosfomycin
Canonical SMILES:   C[C@@H]1O[C@@H]1P(O)(O)=O
Standard InChI:   InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
HET Code:   FFQ PubChem:   446987
DrugBank:   DB00828 ChEMBL:   CHEMBL1757
Molecular Formula:   C3H7O4P Mol. Weight:   138.0082 logP:   -0.0911
HBD:   2 HBA:   2
#Rotatable Bonds:   1 TPSA:   70.06
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Epoxide Opening CYS 115 A 17.08 14.07 Epoxide
Binding Affinity
-