PDB Entry (2rl2)
PDB ID: 2rl2 Resolution: 2.3 Å Exp. Method: X-RAY DIFFRACTION
PMID: 18247346 DOI: 10.1002/prot.21959
Protein
Protein Name: UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Uniprot ID/ACC: P45025 (MURA_HAEIN) Organism: Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Gene Symbol: murA Gene ID: -
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:   GG6 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 117 A 52.28 10.9 Epoxide
Binding Affinity
-