3PAW

Low resolution X-ray crystal structure of Yeast Rnr1p with dATP bound in the A-site


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 6.61 Å
  • R-Value Free: 0.442 
  • R-Value Work: 0.391 
  • R-Value Observed: 0.393 

wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.

Fairman, J.W.Wijerathna, S.R.Ahmad, M.F.Xu, H.Nakano, R.Jha, S.Prendergast, J.Welin, R.M.Flodin, S.Roos, A.Nordlund, P.Li, Z.Walz, T.Dealwis, C.G.

(2011) Nat Struct Mol Biol 18: 316-322

  • DOI: https://doi.org/10.1038/nsmb.2007
  • Primary Citation of Related Structures:  
    2WGH, 3HNC, 3HND, 3HNE, 3HNF, 3PAW

  • PubMed Abstract: 

    Ribonucleotide reductase (RR) is an α(n)β(n) (RR1-RR2) complex that maintains balanced dNTP pools by reducing NDPs to dNDPs. RR1 is the catalytic subunit, and RR2 houses the free radical required for catalysis. RR is allosterically regulated by its activator ATP and its inhibitor dATP, which regulate RR activity by inducing oligomerization of RR1. Here, we report the first X-ray structures of human RR1 bound to TTP alone, dATP alone, TTP-GDP, TTP-ATP, and TTP-dATP. These structures provide insights into regulation of RR by ATP or dATP. At physiological dATP concentrations, RR1 forms inactive hexamers. We determined the first X-ray structure of the RR1-dATP hexamer and used single-particle electron microscopy to visualize the α(6)-ββ'-dATP holocomplex. Site-directed mutagenesis and functional assays confirm that hexamerization is a prerequisite for inhibition by dATP. Our data indicate a mechanism for regulating RR activity by dATP-induced oligomerization.


  • Organizational Affiliation

    Department of Biochemistry, University of Tennessee, Knoxville, TN, USA.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Ribonucleoside-diphosphate reductase large chain 1
A, B, C, D
888Saccharomyces cerevisiaeMutation(s): 0 
Gene Names: RNR1CRT7RIR1SDS12YER070W
EC: 1.17.4.1
UniProt
Find proteins for P21524 (Saccharomyces cerevisiae (strain ATCC 204508 / S288c))
Explore P21524 
Go to UniProtKB:  P21524
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP21524
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 6.61 Å
  • R-Value Free: 0.442 
  • R-Value Work: 0.391 
  • R-Value Observed: 0.393 
  • Space Group: P 63
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 166.509α = 90
b = 166.509β = 90
c = 381.697γ = 120
Software Package:
Software NamePurpose
REFMACrefinement

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2011-02-23
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Version format compliance
  • Version 1.2: 2024-02-21
    Changes: Data collection, Database references