PDB Entry (6nkj)
PDB ID: 6nkj Resolution: 1.3 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
Protein Name: UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1
Uniprot ID/ACC: Q97NQ4 (MURA1_STRPN) Organism: Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
Gene Symbol: murA1 Gene ID: -
Protein Class: TRANSFERASE
Ligand
Ligand Name:   (2R)-2-(phosphonooxy)propanoic acid
Canonical SMILES:   C[C@@H](OP(O)(O)=O)C(O)=O
Standard InChI:   InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1
HET Code:   0V5 PubChem:   444348
DrugBank:   DB01733 ChEMBL:   CHEMBL1941138
Molecular Formula:   C3H7O6P Mol. Weight:   169.99803 logP:   -0.4312
HBD:   3 HBA:   3
#Rotatable Bonds:   3 TPSA:   104.06
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Phosphorylation CYS 120 A 35.66 14.69 Phosphate
Binding Affinity
-