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Structure of the human anaplastic lymphoma kinase in complex with pf- 06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16, 17-tetrahydro-2H-8,4-(METHENO)PYRAZOLO(4,3-H)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).

Analyse Structure of the human anaplastic lymphoma kinase in complex with pf- 06463922… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4CLI
Type: protein
Length: 294 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: 5P8
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALK tyrosine kinase receptor (EC 2.7.10.1)	protein	294	43% helix, 15% strand	Q9UM73

Ligands and binding sites

5P8 · (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile · ligand · 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	400	0.64	0.78	47	5P8

Compared structures

4CLI · Structure of the Human Anaplastic Lymphoma Kinase in Complex with PF- 06463922… · 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 0.98

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Every structure of UniProt Q9UM73
Elsewhere: RCSB PDB 4CLI · PDBe 4CLI · UniProt Q9UM73

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