# ABL1 kinase domain binding to imatinib

From `pdbid:2HYY`

## Manifest
* `2HYY.pdb` - original PDB file
* `2HYY-pdbfixer.pdb` - 2HYY run through pdbfixer to extract a single chain and no ligand
* `STI-extract.pdb` - imatinib extracted from 2HYY PDB file
* `STI02.mol2` - imatinib in dominant protonation state for binding (piperazine ring protonated) generated by OpenEye tools with canonical AM1-BCC charges
