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Crystal structure of human CDK2-SPY1 complex

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

PDB
5UQ1
Type
protein
Length
850 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclin-dependent kinase 2; Speedy protein a
EC
2.7.11.22
UniProt
P24941, Q5MJ70
Pockets
10 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACyclin-dependent kinase 2 (EC 2.7.11.22)protein28832% helix, 14% strandP24941
BSpeedy protein aprotein13464% helix, 0% strandQ5MJ70
CCyclin-dependent kinase 2 (EC 2.7.11.22)protein28931% helix, 17% strandP24941
DSpeedy protein aprotein13962% helix, 0% strandQ5MJ70

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16950.770.8268empty
24460.690.8048empty
34400.670.7952empty
44000.620.7725empty
52570.540.7628empty

Interfaces

4 interfaces between chains.

  • C–D · 1414 Ų buried · 29 hydrogen bonds · protein-protein
  • A–B · 1399 Ų buried · 30 hydrogen bonds · protein-protein
  • A–C · 1342 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 51 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5UQ1 · Crystal structure of human Cdk2-Spy1 complex · the same entry in another collection · chain D against D, TM-score 1.00
  • Q5MJ70 · AlphaFold monomer V2.0 prediction for speedy protein a (Q5MJ70) · a predicted model of the same protein · chain D against A, TM-score 0.99
  • 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 0.92

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