3BHH | pdb_00003bhh

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 (Depositor) 
  • R-Value Work: 
    0.223 (Depositor), 0.230 (DCC) 
  • R-Value Observed: 
    0.225 (Depositor) 

Starting Model: experimental
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wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted 5CPClick on this verticalbar to view details

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
Find similar proteins by: 
(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 (Depositor) 
  • R-Value Work:  0.223 (Depositor), 0.230 (DCC) 
  • R-Value Observed: 0.225 (Depositor) 
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

View Full Validation Report



Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted 5CPClick on this verticalbar to view details

View more in-depth experimental data
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