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Human cyclin dependent kinase 2 (CKD2)COMPLEXED with din- 232305

Analyse Human cyclin dependent kinase 2 (CKD2)COMPLEXED with din- 232305 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2B54
Type
protein
Length
298 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cell division protein kinase 2
EC
2.7.1.37
UniProt
P24941
Ligands
D05
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACell division protein kinase 2 (EC 2.7.1.37)protein29834% helix, 16% strandP24941

Ligands and binding sites

  • D05 · 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12270.590.8028D05
2590.330.7712empty

Compared structures

  • 2B54 · Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305 · the same entry in another collection · chain A against A, TM-score 1.00
  • P24941 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 2 (P24941) · a predicted model of the same protein · chain A against A, TM-score 0.94

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