MolNFT v1 · #125791 · protein

Crystal structure of human MPS1 (ttk) in complex with reversine

5LJJ · Dual specificity protein kinase ttk: “Crystal structure of human MPS1 (ttk) in complex with reversine”. X-ray diffraction, 1 ligand (AD5), 1 pocket (best druggability 0.72). MolNFT v1 #125791 on GenesisL1: 3D structure, binding…

PDB: 5LJJ
Type: protein
Length: 264 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
Ligands: AD5
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dual specificity protein kinase ttk (EC 2.7.12.1)	protein	264	36% helix, 22% strand	P33981

Ligands and binding sites

AD5 · N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine · ligand · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	380	0.72	0.83	47	AD5

Compared structures

5LJJ · Crystal structure of human Mps1 (TTK) in complex with Reversine · the same entry in another collection · chain A against A, TM-score 1.00

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 5LJJ · PDBe 5LJJ · UniProt P33981

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