4CUQ

Crystal structure of human BAZ2B in complex with fragment-2 N09594


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.11 Å
  • R-Value Free: 0.226 
  • R-Value Work: 0.167 
  • R-Value Observed: 0.170 

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Ligand Structure Quality Assessment 


This is version 1.1 of the entry. See complete history


Literature

Crystal Structure of Human Baz2B in Complex with Fragment-2 N09594

R Bradley, A.Liu, Y.Krojer, T.Bountra, C.Arrowsmith, C.H.Edwards, A.Knapp, S.von Delft, F.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B117Homo sapiensMutation(s): 0 
UniProt & NIH Common Fund Data Resources
Find proteins for Q9UIF8 (Homo sapiens)
Explore Q9UIF8 
Go to UniProtKB:  Q9UIF8
PHAROS:  Q9UIF8
GTEx:  ENSG00000123636 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ9UIF8
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
5K3
Query on 5K3

Download Ideal Coordinates CCD File 
B [auth A]4-[(3S)-3-hydroxy-3-methoxypropyl]phenol
C10 H14 O3
WAQHVLNKHJYPKB-JTQLQIEISA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.11 Å
  • R-Value Free: 0.226 
  • R-Value Work: 0.167 
  • R-Value Observed: 0.170 
  • Space Group: C 2 2 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 82.76α = 90
b = 96.5β = 90
c = 57.7γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
Aimlessdata scaling

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2014-04-02
    Type: Initial release
  • Version 1.1: 2018-01-24
    Changes: Database references