Research workbench

Crystal structure of the ALK kinase domain in complex with entrectinib

Analyse Crystal structure of the ALK kinase domain in complex with entrectinib in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5FTO
Type: protein
Length: 298 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALK tyrosine kinase receptor
EC: 2.7.10.1
UniProt: Q9UM73
Ligands: YMX
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALK tyrosine kinase receptor (EC 2.7.10.1)	protein	298	40% helix, 17% strand	Q9UM73

Ligands and binding sites

YMX · Entrectinib · ligand · 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	230	0.60	0.80	31	YMX
2	75	0.34	0.76	14	empty

Compared structures

5FTO · Crystal structure of the ALK kinase domain in complex with Entrectinib · the same entry in another collection · chain A against A, TM-score 1.00
Q9UM73 · AlphaFold monomer V2.0 prediction for ALK tyrosine kinase receptor (Q9UM73) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q9UM73
Elsewhere: RCSB PDB 5FTO · PDBe 5FTO · UniProt Q9UM73

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.