PDB Entry (1tdg)
PDB ID: 1tdg Resolution: 1.8 Å Exp. Method: X-RAY DIFFRACTION
PMID: 15518561 DOI: 10.1021/bi0487903
Protein
Protein Name: Beta-lactamase SHV-1
Uniprot ID/ACC: P0AD64 (BLA1_KLEPN) Organism: Klebsiella pneumoniae
Gene Symbol: bla Gene ID: -
Protein Class: HYDROLASE
Ligand
Ligand Name:   TAZOBACTAM
Canonical SMILES:   O=C(C1)N([C@@H]12)[C@@H](C([O-])=O)[C@](S2(=O)=O)(C)Cn3ccnn3
Standard InChI:   InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/p-1/t7-,8+,10+/m1/s1
HET Code:   TBE PubChem:   7048533
DrugBank:   - ChEMBL:   -
Molecular Formula:   C10H11N4O5S- Mol. Weight:   299.04556 logP:   -2.8579
HBD:   0 HBA:   8
#Rotatable Bonds:   3 TPSA:   125.29
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Beta-Lactam Addition SER 70 A 20.43 - Beta-Lactam
Binding Affinity
-