Brand  (β version)

PDB ID: 1Q2P

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Ligands
Code Name Style Show Link
MA4 Cyclohexyl-hexyl-beta-D-maltoside PoSSuM
WY2 (6,7-dihydro-5h-cyclopenta[D]imidazo[2,1-B]thiazol-2-yl]-4,7-dihydro[1,4]thiazepine-3,6-dicarboxylic acid PoSSuM
Non-standard Residues
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Structure summary

Code : 1Q2P   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : SHV-1 class A beta-lactamase complexed with penem WAY185229
Release Data : 2004-09-14
Compound :
mol_id molecule chains synonym
1 beta-lactamase SHV-1 A PIT-2; extended-spectrum beta-lactamase SHV-1
ec: 3.5.2.6
fragment: PENICILLINASE
Source :
mol_id organism_scientific expression_system
1 Klebsiella pneumoniae  (taxid:573) Escherichia coli str. K-12 substr. DH10B  (taxid:316385)
gene: BLA
expression_system_strain: DH10B
expression_system_vector_type: PLASMID
expression_system_plasmid: PBCSK
Authors : Nukaga, M., Venkatesan, A.M., Mansour, T.S., Hujer, A., Bonomo, R.A., Knox, J.R.
Keywords : hydrolase, inhibition, beta-lactam antibiotics, drug design
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates

Venkatesan, A.M.,Gu, Y.,Dos Santos, O.  et al.
(2004)  J.Med.Chem.  47 : 6556 - 6568

PubMed: 15588091
DOI: 10.1021/jm049680x

Reaction

Chain : A
UniProt : P14557 (BLA1_KLEPN)
Reaction: EC: Evidence:
Physiological Direction:
a beta-lactam + H2O = a substituted beta-amino acid 3.5.2.6 PROSITE-ProRule:PRU10101, PubMed:10231522, PubMed:19351161, PubMed:22908166, PubMed:23252553
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