Het-PDB Navi2 (PDB: 3MXR)

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Ligands
Code	Name		Style	Show	Link
CZ8	({[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid				PoSSuM
MA4	Cyclohexyl-hexyl-beta-D-maltoside				PoSSuM

Non-standard Residues
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Download interaction data: 3MXR

Code :

3MXR PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

SHV-1 beta-lactamase complex with compound 1

Release Data :

2010-11-24

Compound :

mol_id	molecule	chains	synonym
1	Beta-lactamase SHV-1	A	PIT-2
	ec: 3.5.2.6

Source :

mol_id	organism_scientific	expression_system
1	Klebsiella pneumoniae (taxid:573)	Escherichia coli (taxid:562)
	gene: bla, shv1 expression_system_strain: DH10B expression_system_vector_type: PLASMID expression_system_plasmid: PBC SK(-)

Authors :

Ke, W., van den Akker, F.

Keywords :

beta-lactamase, boronic acid transition state inhibitor, drug design, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.30 Å )

Citation :

Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors.

Ke, W.,Sampson, J.M.,Ori, C. et al.
(2011) Antimicrob.Agents Chemother. 55 : 174 - 183

Chain :

UniProt :

P0AD64 (BLA1_KLEPN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
a beta-lactam + H2O = a substituted beta-amino acid	3.5.2.6	PROSITE-ProRule:PRU10101, PubMed:10231522, PubMed:19351161, PubMed:22908166, PubMed:23252553
a beta-lactam + H2O = a substituted beta-amino acid	-

PDB ID: 3MXR