3BHH

Crystal structure of human calcium/calmodulin-dependent protein kinase IIB isoform 1 (CAMK2B)

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.40 Å
  • R-Value Free: 0.275 
  • R-Value Work: 0.223 
  • R-Value Observed: 0.225 

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Ligand Structure Quality Assessment 


This is version 1.2 of the entry. See complete history. 


Literature

Crystal Structure of Human Calcium/Calmodulin-Dependent Protein Kinase IIB Isoform 1 (CAMK2B).

Filippakopoulos, P., Rellos, P., Niesen, F., Burgess, N., Bullock, A., Berridge, G., Pike, A.C.W., Ugochukwu, E., Pilka, E.S., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Knapp, S.

To be published.

Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Calcium/calmodulin-dependent protein kinase type II beta chain
A, B, C, D
295Homo sapiensMutation(s): 0 
Gene Names: CAMK2B, CAM2, CAMKB
EC: 2.7.11.17
UniProt & NIH Common Fund Data Resources
Find proteins for Q13554 (Homo sapiens)
Explore Q13554 
Go to UniProtKB:  Q13554
PHAROS:  Q13554
GTEx:  ENSG00000058404 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ13554
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
5CP
Query on 5CP
Download Ideal Coordinates CCD File 
E [auth A],
F [auth B]		[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
C19 H20 N8
MFMSRHREFZCFSN-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.40 Å
  • R-Value Free: 0.275 
  • R-Value Work: 0.223 
  • R-Value Observed: 0.225 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 173.4α = 90
b = 79.2β = 104.5
c = 98.7γ = 90
Software Package:
Software NamePurpose
PHASERphasing
DMphasing
REFMACrefinement
PDB_EXTRACTdata extraction
CrystalCleardata collection
XDSdata reduction
XDSdata scaling

Structure Validation

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Ligand Structure Quality Assessment 


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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2007-12-11
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Advisory, Version format compliance
  • Version 1.2: 2023-08-30
    Changes: Data collection, Database references, Derived calculations, Refinement description