6OZ7

Putative oxidoreductase from Escherichia coli str. K-12


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.36 Å
  • R-Value Free: 0.169 
  • R-Value Work: 0.123 
  • R-Value Observed: 0.126 

wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Putative oxidoreductase from Escherichia coli str. K-12

Osipiuk, J.Skarina, T.Mesa, N.Endres, M.Savchenko, A.Joachimiak, A.Center for Structural Genomics of Infectious Diseases (CSGID)

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Uncharacterized oxidoreductase YohF
A, B, C, D, E
A, B, C, D, E, F, G, H
254Escherichia coli K-12Mutation(s): 0 
Gene Names: yohFyohEb2137JW2125
EC: 1
UniProt
Find proteins for P33368 (Escherichia coli (strain K12))
Explore P33368 
Go to UniProtKB:  P33368
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP33368
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
PGE
Query on PGE

Download Ideal Coordinates CCD File 
L [auth C],
N [auth D]
TRIETHYLENE GLYCOL
C6 H14 O4
ZIBGPFATKBEMQZ-UHFFFAOYSA-N
EDO
Query on EDO

Download Ideal Coordinates CCD File 
P [auth E],
Q [auth E],
T [auth H]
1,2-ETHANEDIOL
C2 H6 O2
LYCAIKOWRPUZTN-UHFFFAOYSA-N
CA
Query on CA

Download Ideal Coordinates CCD File 
I [auth A]
J [auth B]
K [auth C]
M [auth D]
O [auth E]
I [auth A],
J [auth B],
K [auth C],
M [auth D],
O [auth E],
R [auth F],
S [auth G],
U [auth H]
CALCIUM ION
Ca
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.36 Å
  • R-Value Free: 0.169 
  • R-Value Work: 0.123 
  • R-Value Observed: 0.126 
  • Space Group: P 1
  • Diffraction Data: https://doi.org/10.18430/m36oz7
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 54.819α = 82.59
b = 72.21β = 87.03
c = 119.945γ = 67.82
Software Package:
Software NamePurpose
HKL-3000data scaling
REFMACrefinement
PDB_EXTRACTdata extraction
HKL-3000data reduction
HKL-3000phasing

Structure Validation

View Full Validation Report



Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)United StatesHHSN272201200026C
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)United StatesHHSN272201700060C

Revision History  (Full details and data files)

  • Version 1.0: 2019-05-29
    Type: Initial release
  • Version 1.1: 2019-12-18
    Changes: Author supporting evidence
  • Version 1.2: 2023-10-11
    Changes: Data collection, Database references, Derived calculations, Refinement description