MolNFT v1 · #113763 · protein

Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug resistance.

5AP2 · Dual specificity protein kinase ttk: “Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug resistance.”. X-ray diffraction, 1 ligand (PWU), 3 pockets (best druggability 0.75). MolNFT v1 #113763 on…

PDB: 5AP2
Type: protein
Length: 256 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: PWU
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dual specificity protein kinase ttk (EC 2.7.12.1)	protein	256	37% helix, 20% strand	P33981

Ligands and binding sites

PWU · Isopropyl 6-((4-(1,2-dimethyl-1H-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	254	0.75	0.88	29	PWU
2	69	0.56	0.88	25	empty
3	89	0.49	0.82	21	empty

Compared structures

5AP2 · Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug… · 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 5AP2 · PDBe 5AP2 · UniProt P33981

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