PDB Entry (6nkj) |
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PDB ID: 6nkj | Resolution: 1.3 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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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 |
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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 |
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