MolNFT v1 · #179212 · protein

Halk in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole

7JYS · ALK tyrosine kinase receptor: “Halk in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole”. X-ray diffraction, 1 ligand (VTD), 1 pocket (best druggability 0.51). MolNFT v1 #179212 on GenesisL1: 3D structure, binding sites and…

PDB: 7JYS
Type: protein
Length: 281 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: VTD
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALK tyrosine kinase receptor (EC 2.7.10.1)	protein	281	42% helix, 16% strand	Q9UM73

Ligands and binding sites

VTD · 3-(3-chlorophenyl)-5-methyl-1H-pyrazole · ligand · chains A
EDO · 1,2-ethanediol · additive · 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	166	0.51	0.78	24	VTD

Compared structures

7JYS · hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole · 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

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 7JYS · PDBe 7JYS · UniProt Q9UM73

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