MolNFT v1 · #127813 · protein

Ttk kinase domain in complex with mpi-0479605

5N7V · Dual specificity protein kinase ttk: “Ttk kinase domain in complex with mpi-0479605”. X-ray diffraction, 1 ligand (8PT), 1 pocket (best druggability 0.80). MolNFT v1 #127813 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5N7V
Type: protein
Length: 261 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: 8PT
Pockets: 1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dual specificity protein kinase ttk (EC 2.7.12.1)	protein	261	38% helix, 21% strand	P33981

Ligands and binding sites

8PT · ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine · ligand · chains A
7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol · additive · 2 copies · 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	399	0.80	0.88	56	8PT, 7PE

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

5N7V · TTK kinase domain in complex with MPI-0479605 · 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 5N7V · PDBe 5N7V · UniProt P33981

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