1VGN

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

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.63 Å
  • R-Value Free: 0.243 
  • R-Value Work: 0.228 

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This is version 1.3 of the entry. See complete history. 


Literature

Irreversible Inhibition of Metallo-beta-lactamase (IMP-1) by 3-(3-Mercaptopropionylsulfanyl)propionic Acid Pentafluorophenyl Ester

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

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


Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Beta-lactamase IMP-1
A, B
228Serratia marcescensMutation(s): 0 
EC: 3.5.2.6
UniProt
Find proteins for P52699 (Serratia marcescens)
Explore P52699 
Go to UniProtKB:  P52699
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP52699
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.63 Å
  • R-Value Free: 0.243 
  • R-Value Work: 0.228 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 49.987α = 90
b = 53.314β = 90
c = 196.344γ = 90
Software Package:
Software NamePurpose
CNSrefinement

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2005-06-21
    Type: Initial release
  • Version 1.1: 2008-04-27
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2023-10-25
    Changes: Data collection, Database references, Derived calculations, Refinement description