Het-PDB Navi2 (PDB: 4DE1)

The number of atoms exceeds 100,000.
So, it can not be displayed here.

Select unit:

Select hetatm:

information

centroid:

interaction residue:

Select chain: Sequence Hide other chain(s)

Data format:

Color scheme of protein:

Ligands
Code	Name		Style	Show	Link
0J6	N-[3-(1h-tetrazol-5-yl)phenyl]-2h-indazole-5-carboxamide				PoSSuM
DMS	Dimethyl sulfoxide				PoSSuM

Non-standard Residues
Code	Name	Show
PCA	Pyroglutamic acid

Glycosylation
Code	Name	Emphasize

Modification
Code	Name	Show

Download interaction data: 4DE1

Code :

4DE1 PDBj RCSB PDB PDBe

Header :

Hydrolase/hydrolase inhibitor

Title :

CTX-M-9 class A beta-lactamase complexed with compound 18

Release Data :

2012-03-28

Compound :

mol_id	molecule	chains	synonym
1	Beta-lactamase	A,B	Beta-lactamase CTX-M, Beta-lactamase CTX-M-9a, Betalactamase CTX-M-9, CTX-M-9 beta-lactamase, CTX-M-9 extended-spectrum beta-lactamase
	ec: 3.5.2.6 fragment: unp residues 29-291

Source :

mol_id	organism_scientific	expression_system
1	Escherichia coli (taxid:562)	Escherichia coli (taxid:469008)
	gene: blaCTX-M-9, blaCTX-M-9a, blaCTX-M-9b, CTX-M expression_system_strain: BL21(DE3) expression_system_vector_type: plasmid expression_system_plasmid: PET-9a

Authors :

Nichols, D.A., Chen, Y.

Keywords :

CTX-M, beta-lactamase, molecular docking, fragment, Hydrolase-hydrolase inhibitor complex

Exp. method :

X-RAY DIFFRACTION ( 1.2600 Å )

Citation :

Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase

Nichols, D.A.,Jaishankar, P.,Larson, W. et al.
(2012) J.Med.Chem. 55 : 2163 - 2172

Chain :

A, B

UniProt :

Q9L5C8 (Q9L5C8_ECOLX)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
a beta-lactam + H2O = a substituted beta-amino acid	3.5.2.6	ARBA:ARBA00001526, RuleBase:RU361140
a beta-lactam + H2O = a substituted beta-amino acid	-	ARBA:ARBA00001526, RuleBase:RU361140

PDB ID: 4DE1