MolNFT v1 · #113270 · protein

Structure of L1198F mutant human anaplastic lymphoma kinase in complex with crizotinib

5AAA · ALK tyrosine kinase receptor: “Structure of L1198F mutant human anaplastic lymphoma kinase in complex with crizotinib”. X-ray diffraction, 1 ligand (VGH), 1 pocket (best druggability 0.64). MolNFT v1 #113270 on GenesisL1: 3D…

PDB: 5AAA
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: VGH
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALK tyrosine kinase receptor (EC 2.7.10.1)	protein	294	43% helix, 14% strand	Q9UM73

Ligands and binding sites

VGH · 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine · 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	389	0.64	0.78	42	VGH

Compared structures

5AAA · Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib · 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 5AAA · PDBe 5AAA · UniProt Q9UM73

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