PDBsum entry 1vgn

Hydrolase

PDB id

1vgn

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Contents

			Protein chains

					217 a.a. *

			Ligands

					OPS ×2


					ACY

			Metals

					_ZN ×4

			Waters ×82

* Residue conservation analysis

PDB id:

1vgn

Links

Name:

Hydrolase

Title:

Structure-based design of the irreversible inhibitors to metallo-- lactamase (imp-1)

Structure:

Beta-lactamase imp-1. Chain: a, b. Synonym: metallo-beta-lactamase, beta-lactamase, type ii, penicillinase, blaimp. Engineered: yes

Source:

Serratia marcescens. Organism_taxid: 615. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.

Resolution:

2.63Å

R-factor:

0.228

R-free:

0.243

Authors:

H.Kurosaki,Y.Yamaguchi,T.Higashi,K.Soga,S.Matsueda,S.Misumi, Y.Yamagata,Y.Arakawa,M.Goto

Key ref:

H.Kurosaki et al. (2005). Irreversible inhibition of metallo-beta-lactamase (IMP-1) by 3-(3-mercaptopropionylsulfanyl)propionic acid pentafluorophenyl ester. Angew Chem Int Ed Engl, 44, 3861-3864. PubMed id: 15892033

Date:

27-Apr-04

Release date:

21-Jun-05

PROCHECK

	Headers

	References

Protein chains

P52699 (BLAB_SERMA) - Metallo-beta-lactamase type 2 from Serratia marcescens

Seq: Struc:					246 a.a. 217 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class:

E.C.3.5.2.6 - beta-lactamase.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

Pathway:

Penicillin Biosynthesis and Metabolism

Reaction:

a beta-lactam + H2O = a substituted beta-amino acid

Cofactor:

Zn(2+)

	Angew Chem Int Ed Engl 44:3861-3864 (2005)
PubMed id: 15892033

Irreversible inhibition of metallo-beta-lactamase (IMP-1) by 3-(3-mercaptopropionylsulfanyl)propionic acid pentafluorophenyl ester.
H.Kurosaki, Y.Yamaguchi, T.Higashi, K.Soga, S.Matsueda, H.Yumoto, S.Misumi, Y.Yamagata, Y.Arakawa, M.Goto.

ABSTRACT

No abstract given.

Literature references that cite this PDB file's key reference

PubMed id

Reference

20121112

P.Oelschlaeger, N.Ai, K.T.Duprez, W.J.Welsh, and J.H.Toney (2010).
Evolving carbapenemases: can medicinal chemists advance one step ahead of the coming storm?

J Med Chem, 53, 3013-3027.

19039608

F.R.Salsbury, M.W.Crowder, S.F.Kingsmore, and J.J.Huntley (2009).
Molecular dynamic simulations of the metallo-beta-lactamase from Bacteroides fragilis in the presence and absence of a tight-binding inhibitor.

J Mol Model, 15, 133-145.

18648687

A.I.Anzellotti, and N.P.Farrell (2008).
Zinc metalloproteins as medicinal targets.

Chem Soc Rev, 37, 1629-1651.

18648861

A.Tamilselvi, and G.Mugesh (2008).
Zinc and antibiotic resistance: metallo-beta-lactamases and their synthetic analogues.

J Biol Inorg Chem, 13, 1039-1053.

18528987

N.Sharma, Z.Hu, M.W.Crowder, and B.Bennett (2008).
Conformational changes in the metallo-beta-lactamase ImiS during the catalytic reaction: an EPR spectrokinetic study of Co(II)-spin label interactions.

J Am Chem Soc, 130, 8215-8222.

The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.