Crystal structure of the abl 1B kinase domain in complex with dasatinib and imatinib

Structure

x-ray diffraction · 3 distinct chains.

Ligands and binding sites

• STI · 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide · ligand · 3 copies · chains A, B, C
• 1N1 · N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide · ligand · 3 copies · chains A, B, C
• PO4 · Phosphate ion · ion

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 7N9G · Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib · the same entry in another collection · chain A against A, TM-score 1.00
• P00519 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ABL1 (P00519) · a predicted model of the same protein · chain C 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 P00519
• Elsewhere: RCSB PDB 7N9G · PDBe 7N9G · UniProt P00519