2ODE

Crystal structure of the heterodimeric complex of human RGS8 and activated Gi alpha 3


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.90 Å
  • R-Value Free: 0.211 
  • R-Value Work: 0.180 
  • R-Value Observed: 0.181 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.3 of the entry. See complete history


Literature

Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.

Soundararajan, M.Willard, F.S.Kimple, A.J.Turnbull, A.P.Ball, L.J.Schoch, G.A.Gileadi, C.Fedorov, O.Y.Dowler, E.F.Higman, V.A.Hutsell, S.Q.Sundstrom, M.Doyle, D.A.Siderovski, D.P.

(2008) Proc Natl Acad Sci U S A 105: 6457-6462

  • DOI: https://doi.org/10.1073/pnas.0801508105
  • Primary Citation of Related Structures:  
    1ZV4, 2A72, 2AF0, 2BT2, 2BV1, 2ES0, 2GTP, 2I59, 2IHB, 2IHD, 2IK8, 2JM5, 2JNU, 2ODE, 2OWI

  • PubMed Abstract: 

    Regulator of G protein signaling (RGS) proteins accelerate GTP hydrolysis by Galpha subunits and thus facilitate termination of signaling initiated by G protein-coupled receptors (GPCRs). RGS proteins hold great promise as disease intervention points, given their signature role as negative regulators of GPCRs-receptors to which the largest fraction of approved medications are currently directed. RGS proteins share a hallmark RGS domain that interacts most avidly with Galpha when in its transition state for GTP hydrolysis; by binding and stabilizing switch regions I and II of Galpha, RGS domain binding consequently accelerates Galpha-mediated GTP hydrolysis. The human genome encodes more than three dozen RGS domain-containing proteins with varied Galpha substrate specificities. To facilitate their exploitation as drug-discovery targets, we have taken a systematic structural biology approach toward cataloging the structural diversity present among RGS domains and identifying molecular determinants of their differential Galpha selectivities. Here, we determined 14 structures derived from NMR and x-ray crystallography of members of the R4, R7, R12, and RZ subfamilies of RGS proteins, including 10 uncomplexed RGS domains and 4 RGS domain/Galpha complexes. Heterogeneity observed in the structural architecture of the RGS domain, as well as in engagement of switch III and the all-helical domain of the Galpha substrate, suggests that unique structural determinants specific to particular RGS protein/Galpha pairings exist and could be used to achieve selective inhibition by small molecules.


  • Organizational Affiliation

    Structural Genomics Consortium, Oxford University, Oxford OX3 7DQ, United Kingdom.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Guanine nucleotide-binding protein G(k) subunit alpha
A, C
350Homo sapiensMutation(s): 0 
Gene Names: GNAI3
UniProt & NIH Common Fund Data Resources
Find proteins for P08754 (Homo sapiens)
Explore P08754 
Go to UniProtKB:  P08754
PHAROS:  P08754
GTEx:  ENSG00000065135 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP08754
Sequence Annotations
Expand
  • Reference Sequence
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
Regulator of G-protein signaling 8
B, D
141Homo sapiensMutation(s): 0 
Gene Names: RGS8
UniProt & NIH Common Fund Data Resources
Find proteins for P57771 (Homo sapiens)
Explore P57771 
Go to UniProtKB:  P57771
PHAROS:  P57771
GTEx:  ENSG00000135824 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP57771
Sequence Annotations
Expand
  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.90 Å
  • R-Value Free: 0.211 
  • R-Value Work: 0.180 
  • R-Value Observed: 0.181 
  • Space Group: P 21 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 112.837α = 90
b = 130.216β = 90
c = 68.519γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History 

Revision History  (Full details and data files)

  • Version 1.0: 2007-02-06
    Type: Initial release
  • Version 1.1: 2007-10-10
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Advisory, Version format compliance
  • Version 1.3: 2023-08-30
    Changes: Data collection, Database references, Derived calculations, Refinement description