- PDB-5unp: Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T... -
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Basic information
Entry
Database: PDB / ID: 5unp
Title
Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T-025 [N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine]
Components
Dual specificity protein kinase CLK2
Keywords
TRANSFERASE/TRANSFERASE INHIBITOR / Protein Kinase / Dual Specificity Protein Kinase / Inhibitor / Transferase / complex / TRANSFERASE-TRANSFERASE INHIBITOR complex
Function / homology
Function and homology information
dual-specificity kinase / response to ionizing radiation / regulation of RNA splicing / negative regulation of gluconeogenesis / protein serine/threonine/tyrosine kinase activity / protein tyrosine kinase activity / protein autophosphorylation / nuclear body / nuclear speck / protein phosphorylation ...dual-specificity kinase / response to ionizing radiation / regulation of RNA splicing / negative regulation of gluconeogenesis / protein serine/threonine/tyrosine kinase activity / protein tyrosine kinase activity / protein autophosphorylation / nuclear body / nuclear speck / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / nucleoplasm / ATP binding / identical protein binding / nucleus Similarity search - Function
Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain ...Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Alpha Beta Similarity search - Domain/homology
Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.3 / Wavelength: 0.977 Å
Detector
Type: ADSC QUANTUM 315r / Detector: AREA DETECTOR / Date: May 11, 2015
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.977 Å / Relative weight: 1
Reflection
Resolution: 2.92→50 Å / Num. obs: 26725 / % possible obs: 99.8 % / Redundancy: 5 % / Net I/σ(I): 23
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0025
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHASER
phasing
Refinement
Resolution: 2.92→38.97 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.94 / SU B: 15.428 / SU ML: 0.276 / Cross valid method: THROUGHOUT / ESU R: 1.05 / ESU R Free: 0.334 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23385
1333
5 %
RANDOM
Rwork
0.20062
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obs
0.20229
25181
99.67 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å