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Unc-51-like kinase 3 (ULK3) in complex with bosutinib

Analyse Unc-51-like kinase 3 (ULK3) in complex with bosutinib in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6FDY
Type: protein
Length: 261 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase ULK3
EC: 2.7.11.1
UniProt: Q6PHR2
Ligands: DB8
Pockets: 1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
U	SERINE/THREONINE-protein kinase ULK3 (EC 2.7.11.1)	protein	261	36% helix, 20% strand	Q6PHR2

Ligands and binding sites

DB8 · 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile · ligand · 2 copies · chains U

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	297	0.61	0.79	32	DB8

Compared structures

6FDY · Unc-51-Like Kinase 3 (ULK3) In Complex With Bosutinib · the same entry in another collection · chain U against U, TM-score 1.00
Q6PHR2 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase ULK3 (Q6PHR2) · a predicted model of the same protein · chain U 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 Q6PHR2
Elsewhere: RCSB PDB 6FDY · PDBe 6FDY · UniProt Q6PHR2

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