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 |
||
- |