9BOR

IkappaBzeta ankyrin repeat domain:NF-kappaB p50 homodimer complex at 2.0 Angstrom resolution


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.208 
  • R-Value Work: 0.181 
  • R-Value Observed: 0.182 

Starting Models: experimental
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Literature

Structural and biochemical analyses of the nuclear I kappa B zeta protein in complex with the NF-kappa B p50 homodimer.

Zhu, N.Rogers, W.E.Heidary, D.K.Huxford, T.

(2024) Genes Dev 38: 528-535

  • DOI: https://doi.org/10.1101/gad.351892.124
  • Primary Citation of Related Structures:  
    9BOR

  • PubMed Abstract: 

    As part of the efforts to understand nuclear IκB function in NF-κB-dependent gene expression, we report an X-ray crystal structure of the IκBζ ankyrin repeat domain in complex with the dimerization domain of the NF-κB p50 homodimer. IκBζ possesses an N-terminal α helix that conveys domain folding stability. Affinity and specificity of the complex depend on a small portion of p50 at the nuclear localization signal. The model suggests that only one p50 subunit supports binding with IκBζ, and biochemical experiments confirm that IκBζ associates with DNA-bound NF-κB p50:RelA heterodimers. Comparisons of IκBζ:p50 and p50:κB DNA complex crystallographic models indicate that structural rearrangement is necessary for ternary complex formation of IκBζ and p50 with DNA.


  • Organizational Affiliation

    Structural Biochemistry Laboratory, Department of Chemistry and Biochemistry, San Diego State University, San Diego, California 92182, USA.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
NF-kappa-B inhibitor zeta315Homo sapiensMutation(s): 0 
Gene Names: NFKBIZIKBZINAPMAIL
UniProt & NIH Common Fund Data Resources
Find proteins for Q9BYH8 (Homo sapiens)
Explore Q9BYH8 
Go to UniProtKB:  Q9BYH8
PHAROS:  Q9BYH8
GTEx:  ENSG00000144802 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ9BYH8
Sequence Annotations
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  • Reference Sequence
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
Nuclear factor NF-kappa-B p50 subunit
B, C
132Mus musculusMutation(s): 0 
Gene Names: Nfkb1
UniProt & NIH Common Fund Data Resources
Find proteins for P25799 (Mus musculus)
Explore P25799 
Go to UniProtKB:  P25799
IMPC:  MGI:97312
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP25799
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
HT3
Query on HT3

Download Ideal Coordinates CCD File 
D [auth B](2R,3S)-heptane-1,2,3-triol
C7 H16 O3
HXYCHJFUBNTKQR-NKWVEPMBSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.00 Å
  • R-Value Free: 0.208 
  • R-Value Work: 0.181 
  • R-Value Observed: 0.182 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 51.415α = 90
b = 58.931β = 99.15
c = 108.806γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing

Structure Validation

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Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Not fundedUnited States--

Revision History  (Full details and data files)

  • Version 1.0: 2024-08-07
    Type: Initial release