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Crystal structure of SUN1-speedy a-CDK2

Analyse Crystal structure of SUN1-speedy a-CDK2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7E34
Type
protein
Length
459 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclin-dependent kinase 2; Speedy protein a; Sun domain-containing protein 1
EC
2.7.11.22
UniProt
P24941, Q5MJ70, O94901
Ligands
ZN
Pockets
5 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACyclin-dependent kinase 2 (EC 2.7.11.22)protein29833% helix, 15% strandP24941
BSpeedy protein aprotein14267% helix, 3% strandQ5MJ70
CSun domain-containing protein 1protein190% helix, 21% strandO94901

Ligands and binding sites

  • ZN · Zinc ion · metal · chains B
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12040.690.8626empty
2950.400.7718empty
3500.340.8014empty
4640.320.7515empty
5630.280.7413empty

Interfaces

3 interfaces between chains.

  • A–B · 1549 Ų buried · 30 hydrogen bonds · protein-protein
  • B–C · 1136 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 366 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 7E34 · Crystal structure of SUN1-Speedy A-CDK2 · 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 0.92
  • O94901 · AlphaFold monomer V2.0 prediction for sun domain-containing protein 1 (O94901) · a predicted model of the same protein · chain C against A, TM-score 0.25

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