Het-PDB Navi2 (PDB: 5W14)

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Ligands
Code	Name		Style	Show	Link
9TJ	3-{1-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1h-1,2,3-triazol-4-yl}benzoic acid				PoSSuM

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Download interaction data: 5W14

Code :

5W14 PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

ADC-7 in complex with boronic acid transition state inhibitor S03043

Release Data :

2017-11-29

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	Acinetobacter baumannii (taxid:470)	Escherichia coli (taxid:469008)
	expression_system_strain: BL21(DE3) expression_system_vector_type: Plasmid expression_system_plasmid: pET28a

Authors :

Smolen, K.A., Powers, R.A., Wallar, B.J.

Keywords :

inhibitor, Beta-lactamase, BATSI, ADC-7, HYDROLASE-HYDROLASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.88 Å )

Citation :

Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.

Caselli, E.,Romagnoli, C.,Powers, R.A. et al.
(2018) ACS Infect Dis 4 : 337 - 348

Chain :

A, B, C, D

UniProt :

Q6DRA1 (Q6DRA1_ACIBA)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
a beta-lactam + H2O = a substituted beta-amino acid	3.5.2.6	RuleBase:RU361140
a beta-lactam + H2O = a substituted beta-amino acid	-	RuleBase:RU361140

PDB ID: 5W14