MolNFT v1 · #56661 · protein

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

2ZMC · Dual specificity protein kinase ttk: “Crystal structure of human mitotic checkpoint kinase MPS1 catalytic domain apo form”. X-ray diffraction, 2 pockets (best druggability 0.68). MolNFT v1 #56661 on GenesisL1: 3D structure, binding…

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).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dual specificity protein kinase ttk (EC 2.7.12.1)	protein	260	38% helix, 17% strand	P33981

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	483	0.68	0.78	41	7PE
2	74	0.37	0.77	24	empty

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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P33981
Elsewhere: RCSB PDB 2ZMC · PDBe 2ZMC · UniProt P33981

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