4GQA

Crystal structure of NAD binding oxidoreductase from Klebsiella pneumoniae


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.42 Å
  • R-Value Free: 0.230 
  • R-Value Work: 0.186 
  • R-Value Observed: 0.188 

wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Crystal structure of NAD binding oxidoreductase from Klebsiella pneumoniae (CASP Target)

Osinski, S.Majorek, K.A.Niedzialkowska, E.Osinski, T.Porebski, P.J.Nawar, A.Hammonds, J.Hillerich, B.Seidel, R.Bonanno, J.B.Almo, S.C.Minor, W.New York Structural Genomics Research Consortium (NYSGRC)

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
NAD binding Oxidoreductase
A, B, C, D
412Klebsiella pneumoniae 342Mutation(s): 0 
Gene Names: KPK_4084
EC: 1
UniProt
Find proteins for B5Y097 (Klebsiella pneumoniae (strain 342))
Explore B5Y097 
Go to UniProtKB:  B5Y097
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupB5Y097
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Modified Residues  1 Unique
IDChains TypeFormula2D DiagramParent
MSE
Query on MSE
A, B, C, D
L-PEPTIDE LINKINGC5 H11 N O2 SeMET
Experimental Data & Validation

Experimental Data

Unit Cell:
Length ( Å )Angle ( ˚ )
a = 116.418α = 90
b = 113.026β = 90.54
c = 132.174γ = 90
Software Package:
Software NamePurpose
HKL-3000phasing
SHELXEmodel building
MLPHAREphasing
DMmodel building
ARP/wARPmodel building
REFMACrefinement
Cootmodel building
HKL-3000data reduction
HKL-3000data scaling
DMphasing

Structure Validation

View Full Validation Report



Entry History 

Revision History  (Full details and data files)

  • Version 1.0: 2012-09-12
    Type: Initial release
  • Version 1.1: 2017-11-15
    Changes: Refinement description
  • Version 1.2: 2022-04-13
    Changes: Database references, Derived calculations, Structure summary