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Hydrolase PDB id
1vgn
Jmol
Contents
Protein chains
217 a.a. *
Ligands
OPS ×2
ACY
Metals
_ZN ×4
Waters ×82
* Residue conservation analysis
PDB id:
1vgn
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 DOI: 10.1002/anie.200500835
Date:
27-Apr-04     Release date:   21-Jun-05    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P52699  (BLAB_SERMA) -  Beta-lactamase IMP-1
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: Zinc
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     response to antibiotic   2 terms 
  Biochemical function     hydrolase activity     4 terms  

 

 
DOI no: 10.1002/anie.200500835 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.