6TAJ

Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid 1.60 Angstrom resolution

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.60 Å
  • R-Value Free: 0.223 
  • R-Value Work: 0.195 
  • R-Value Observed: 0.196 

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This is version 2.2 of the entry. See complete history. 


Literature

Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations

Roca, M., Navas-Yuste, S., Zinovjev, K., Lopez-Estepa, M., Gomez, S., Fernandez, F.J., Vega, M.C., Tunon, I.

(2020) ACS Catal 10: 1871-1885


Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Orotate phosphoribosyltransferaseA [auth AAA],
B [auth BBB]		213Escherichia coli K-12Mutation(s): 0 
Gene Names: pyrE, b3642, JW3617
EC: 2.4.2.10
UniProt
Find proteins for P0A7E3 (Escherichia coli (strain K12))
Explore P0A7E3 
Go to UniProtKB:  P0A7E3
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP0A7E3
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.60 Å
  • R-Value Free: 0.223 
  • R-Value Work: 0.195 
  • R-Value Observed: 0.196 
  • Space Group: P 41 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 83.118α = 90
b = 83.118β = 90
c = 122.787γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing

Structure Validation

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Entry History & Funding Information

Deposition Data

Funding OrganizationLocationGrant Number
Spanish Ministry of Economy and CompetitivenessSpainCTQ2015-66206-C2-2-R
Spanish Ministry of Science, Innovation, and UniversitiesSpainRTI2018-1018-102242-B-I00
Spanish National Research CouncilSpain2016E064

Revision History  (Full details and data files)

  • Version 1.0: 2020-11-18
    Type: Initial release
  • Version 2.0: 2021-05-26
    Changes: Atomic model
  • Version 2.1: 2021-06-02
    Changes: Database references
  • Version 2.2: 2024-01-24
    Changes: Data collection, Database references, Derived calculations, Refinement description