3TMP

The catalytic domain of human deubiquitinase DUBA in complex with ubiquitin aldehyde


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.91 Å
  • R-Value Free: 0.227 
  • R-Value Work: 0.190 
  • R-Value Observed: 0.192 

wwPDB Validation   3D Report Full Report


This is version 1.1 of the entry. See complete history


Literature

Phosphorylation-dependent activity of the deubiquitinase DUBA.

Huang, O.W.Ma, X.Yin, J.Flinders, J.Maurer, T.Kayagaki, N.Phung, Q.Bosanac, I.Arnott, D.Dixit, V.M.Hymowitz, S.G.Starovasnik, M.A.Cochran, A.G.

(2012) Nat Struct Mol Biol 19: 171-175

  • DOI: https://doi.org/10.1038/nsmb.2206
  • Primary Citation of Related Structures:  
    3TMO, 3TMP

  • PubMed Abstract: 

    Addition and removal of ubiquitin or ubiquitin chains to and from proteins is a tightly regulated process that contributes to cellular signaling and protein stability. Here we show that phosphorylation of the human deubiquitinase DUBA (OTUD5) at a single residue, Ser177, is both necessary and sufficient to activate the enzyme. The crystal structure of the ubiquitin aldehyde adduct of active DUBA reveals a marked cooperation between phosphorylation and substrate binding. An intricate web of interactions involving the phosphate and the C-terminal tail of ubiquitin cause DUBA to fold around its substrate, revealing why phosphorylation is essential for deubiquitinase activity. Phosphoactivation of DUBA represents an unprecedented mode of protease regulation and a clear link between two major cellular signal transduction systems: phosphorylation and ubiquitin modification.


  • Organizational Affiliation

    Department of Early Discovery Biochemistry, Genentech, South San Francisco, California, USA.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
OTU domain-containing protein 5
A, C, E, G
184Homo sapiensMutation(s): 0 
Gene Names: DUBAOTUD5
EC: 3.4.19.12
UniProt & NIH Common Fund Data Resources
Find proteins for Q96G74 (Homo sapiens)
Explore Q96G74 
Go to UniProtKB:  Q96G74
PHAROS:  Q96G74
GTEx:  ENSG00000068308 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ96G74
Sequence Annotations
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  • Reference Sequence
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
Polyubiquitin-C
B, D, F, H
76Homo sapiensMutation(s): 0 
Gene Names: UBCubiquitin aldehyde
UniProt & NIH Common Fund Data Resources
Find proteins for P0CG48 (Homo sapiens)
Explore P0CG48 
Go to UniProtKB:  P0CG48
PHAROS:  P0CG48
GTEx:  ENSG00000150991 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP0CG48
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Modified Residues  2 Unique
IDChains TypeFormula2D DiagramParent
SEP
Query on SEP
A, C, E, G
L-PEPTIDE LINKINGC3 H8 N O6 PSER
GLZ
Query on GLZ
B, D, F, H
L-PEPTIDE LINKINGC2 H5 N OGLY
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.91 Å
  • R-Value Free: 0.227 
  • R-Value Work: 0.190 
  • R-Value Observed: 0.192 
  • Space Group: P 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 59.532α = 90.26
b = 65.296β = 93.53
c = 65.843γ = 99.28
Software Package:
Software NamePurpose
HKL-2000data collection
PHASESphasing
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2012-01-11
    Type: Initial release
  • Version 1.1: 2012-02-29
    Changes: Database references