Brand  (β version)

PDB ID: 5QAS

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Ligands
Code Name Style Show Link
CVF 3-[4-(2-acetamidoethyl)phenyl]benzoic acid PoSSuM
EDO 1,2-ethanediol PoSSuM
Non-standard Residues
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KCX Lysine nz-carboxylic acid
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Structure summary

Code : 5QAS   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : OXA-48 IN COMPLEX WITH COMPOUND 23b
Release Data : 2018-01-10
Compound :
mol_id molecule chains
1 Beta-lactamase A,B,C,D
ec: 3.5.2.6
Source :
mol_id organism_scientific expression_system
1 Klebsiella pneumoniae  (taxid:573) Escherichia coli  (taxid:562)
gene: bla OXA-48, blaOXA-48, KPE71T_00045
Authors : Lund, B.A., Leiros, H.K.S.
Keywords : Oxacillinase, Inhibitor, Complex, OXA, Antibiotic resistance, beta-lactamase, fragment, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.90 Å )
Citation :

A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.

Akhter, S.,Lund, B.A.,Ismael, A.  et al.
(2018)  Eur J Med Chem  145 : 634 - 648

PubMed: 29348071
DOI: 10.1016/j.ejmech.2017.12.085

Reaction

Chain : A, B, C, D
UniProt : Q6XEC0 (Q6XEC0_KLEPN)
Reaction: EC: Evidence:
Physiological Direction:
a beta-lactam + H2O = a substituted beta-amino acid 3.5.2.6 RuleBase:RU361140
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