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Crystal structure of human mitotic checkpoint kinase MPS1 catalytic domain apo form

Analyse Crystal structure of human mitotic checkpoint kinase MPS1 catalytic domain apo… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2ZMC
Type
protein
Length
260 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dual specificity protein kinase ttk
EC
2.7.12.1
UniProt
P33981
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADual specificity protein kinase ttk (EC 2.7.12.1)protein26038% helix, 17% strandP33981

Ligands and binding sites

  • 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol · additive · 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
14830.680.78417PE
2740.370.7724empty

Compared structures

  • 2ZMC · Crystal structure of human mitotic checkpoint kinase Mps1 catalytic domain apo form · the same entry in another collection · chain A against A, TM-score 1.00
  • P33981 · AlphaFold monomer V2.0 prediction for dual specificity protein kinase ttk (P33981) · a predicted model of the same protein · chain A against A, TM-score 0.98

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