3A1R

Neutron crystal structure analysis of bovine pancreatic ribonuclease A


Experimental Data Snapshot

  • Method: NEUTRON DIFFRACTION

wwPDB Validation   3D Report Full Report


This is version 1.5 of the entry. See complete history


Literature

A neutron crystallographic analysis of phosphate-free ribonuclease A at 1.7 A resolution

Yagi, D.Yamada, T.Kurihara, K.Ohnishi, Y.Yamashita, M.Tamada, T.Tanaka, I.Kuroki, R.Niimura, N.

(2009) Acta Crystallogr D Biol Crystallogr 65: 892-899

  • DOI: https://doi.org/10.1107/S0907444909018885
  • Primary Citation of Related Structures:  
    3A1R

  • PubMed Abstract: 

    A neutron crystallographic analysis of phosphate-free bovine pancreatic RNase A has been carried out at 1.7 A resolution using the BIX-4 single-crystal diffractometer at the JRR-3 reactor of the Japan Atomic Energy Agency. The high-resolution structural model allowed us to determine that His12 acts mainly as a general base in the catalytic process of RNase A. Numerous other distinctive structural features such as the hydrogen positions of methyl groups, hydroxyl groups, prolines, asparagines and glutamines were also determined at 1.7 A resolution. The protonation and deprotonation states of all of the charged amino-acid residues allowed us to provide a definitive description of the hydrogen-bonding network around the active site and the H atoms of the key His48 residue. Differences in hydrogen-bond strengths for the alpha-helices and beta-sheets were inferred from determination of the hydrogen-bond lengths and the H/D-exchange ratios of the backbone amide H atoms. The correlation between the B factors and hydrogen-bond lengths of the hydration water molecules was also determined.


  • Organizational Affiliation

    Graduate School of Science and Engineering, Ibaraki University, Hitachi, Japan.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Ribonuclease pancreatic124Bos taurusMutation(s): 0 
EC: 3.1.27.5
UniProt
Find proteins for P61823 (Bos taurus)
Explore P61823 
Go to UniProtKB:  P61823
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP61823
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

Unit Cell:
Length ( Å )Angle ( ˚ )
a = 30.38α = 90
b = 38.558β = 105.78
c = 53.398γ = 90
Software Package:
Software NamePurpose
CNSrefinement
DENZOdata reduction
SCALEPACKdata scaling
CNSphasing

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2009-09-01
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Non-polymer description, Version format compliance
  • Version 1.2: 2018-03-07
    Changes: Data collection
  • Version 1.3: 2018-06-13
    Changes: Data collection
  • Version 1.4: 2018-07-18
    Changes: Data collection
  • Version 1.5: 2023-11-01
    Changes: Data collection, Database references, Refinement description