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Crystal structure of human CDK2-SPY1-P27 ternary complex

Analyse Crystal structure of human CDK2-SPY1-P27 ternary complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UQ3
Type
protein
Length
451 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclin-dependent kinase 2; Speedy protein a; Cyclin-dependent kinase inhibitor 1B
EC
2.7.11.22
UniProt
P24941, Q5MJ70, P46527
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACyclin-dependent kinase 2 (EC 2.7.11.22)protein27035% helix, 7% strandP24941
BSpeedy protein aprotein13557% helix, 0% strandQ5MJ70
CCyclin-dependent kinase inhibitor 1Bprotein4624% helix, 0% strandP46527

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13450.640.8046empty
21290.530.8120empty
3690.470.8321empty

Interfaces

3 interfaces between chains.

  • A–C · 1446 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 1335 Ų buried · 31 hydrogen bonds · protein-protein
  • B–C · 104 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5UQ3 · Crystal structure of human Cdk2-Spy1-P27 ternary complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5MJ70 · AlphaFold monomer V2.0 prediction for speedy protein a (Q5MJ70) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • 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 0.89
  • P46527 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase inhibitor 1B (P46527) · a predicted model of the same protein · chain C against A, TM-score 0.83

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