2026-07-11_00000172
|
ligand
|
9TFB
PDGFRA-G680R mutant kinase domain in complex with a 6,7-bis(2-methoxyethoxy)quinazoline-based compound (44);
X-ray diffraction 2.00Å
Protein #1
355 residues (92% resolved)
Raw Sequence ...
GGRKQKPRYEIRWRVIESISPDGHEYIYVDPMQLPYDSRWEFPRDGLVLGRVLGSGAFGKVVEGTAYGLSRSQPVMKVAVKMLKPTARSSEKQALMSELKIMTHLGPHLNIVNLLGACTKSGPIYIITEYCFYRDLVNYLHKNRDSFLSHKKKSMLDSEVKNLLSDDNSEGLTLLDLLSFTYQVARGMEFLASKNCVHRDLAARNVLLAQGKIVKICDFGLARDIMHDSNYVSKGSTFLPVKWMAPESIFDNLYTTLSDVWSYGILLWEIFSLGGTPYPGMMVDSTFYNKIKSGYRMAKPDHATSEVYEIMVKCWNSEPEKRPSFYHLSEIVENLLPGQYKKSYEKIHLDFLKSD
Canonical Sequence ...
GGRKQKPRYEIRWRVIESISPDGHEYIYVDPMQLPYDSRWEFPRDGLVLGRVLGSGAFGKVVEGTAYGLSRSQPVMKVAVKMLKPTARSSEKQALMSELKIMTHLGPHLNIVNLLGACTKSGPIYIITEYCFYRDLVNYLHKNRDSFLSHKKKSMLDSEVKNLLSDDNSEGLTLLDLLSFTYQVARGMEFLASKNCVHRDLAARNVLLAQGKIVKICDFGLARDIMHDSNYVSKGSTFLPVKWMAPESIFDNLYTTLSDVWSYGILLWEIFSLGGTPYPGMMVDSTFYNKIKSGYRMAKPDHATSEVYEIMVKCWNSEPEKRPSFYHLSEIVENLLPGQYKKSYEKIHLDFLKSD
Non polymer #2
A1JVS
InChI=1S/C30H36FN7O4/c1-30(32,21-4-6-23(31)7-5-21)22-18-33-29(34-19-22)38-10-8-37(9-11-38)28-24-16-26(41-14-12-39-2)27(42-15-13-40-3)17-25(24)35-20-36-28/h4-7,16-20H,8-15,32H2,1-3H3/t30-/m0/s1
InChI=1S/C30H36FN7O4/c1-30(32,21-4-6-23(31)7-5-21)22-18-33-29(34-19-22)38-10-8-37(9-11-38)28-24-16-26(41-14-12-39-2)27(42-15-13-40-3)17-25(24)35-20-36-28/h4-7,16-20H,8-15,32H2,1-3H3/t30-/m0/s1
SMILES: C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OCCOC)OCCOC)N
C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OCCOC)OCCOC)N
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%