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Crystal structure of the human CDK2 kinase complex with cell cycle-regulatory protein CKSHS1

Analyse Crystal structure of the human CDK2 kinase complex with cell cycle-regulatory… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1BUH
Type
protein
Length
357 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (CDK2 human); Protein (CKSHS1 human)
UniProt
P24941, P61024
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (CDK2 human)protein28735% helix, 17% strandP24941
BProtein (CKSHS1 human)protein7014% helix, 31% strandP61024

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1620.720.9716empty
22760.680.8333empty
31210.350.7327empty
4670.310.7417empty

Interfaces

1 interface between chains.

  • A–B · 698 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 1BUH · Crystal structure of the human CDK2 kinase complex with cell cycle-regulatory protein… · the same entry in another collection · chain A against A, TM-score 1.00
  • P61024 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinases regulatory subunit 1… · a predicted model of the same protein · chain B against A, TM-score 0.96
  • 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 0.95

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