2026-07-11_00000171
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ligand
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9TFA
PDGFRA-G680R mutant kinase domain in complex with a 6,7-dimethoxyquinazoline-based compound (43);
X-ray diffraction 2.20Å
Protein #1
355 residues (87% resolved)
Raw Sequence ...
GGRKQKPRYEIRWRVIESISPDGHEYIYVDPMQLPYDSRWEFPRDGLVLGRVLGSGAFGKVVEGTAYGLSRSQPVMKVAVKMLKPTARSSEKQALMSELKIMTHLGPHLNIVNLLGACTKSGPIYIITEYCFYRDLVNYLHKNRDSFLSHKKKSMLDSEVKNLLSDDNSEGLTLLDLLSFTYQVARGMEFLASKNCVHRDLAARNVLLAQGKIVKICDFGLARDIMHDSNYVSKGSTFLPVKWMAPESIFDNLYTTLSDVWSYGILLWEIFSLGGTPYPGMMVDSTFYNKIKSGYRMAKPDHATSEVYEIMVKCWNSEPEKRPSFYHLSEIVENLLPGQYKKSYEKIHLDFLKSD
Canonical Sequence ...
GGRKQKPRYEIRWRVIESISPDGHEYIYVDPMQLPYDSRWEFPRDGLVLGRVLGSGAFGKVVEGTAYGLSRSQPVMKVAVKMLKPTARSSEKQALMSELKIMTHLGPHLNIVNLLGACTKSGPIYIITEYCFYRDLVNYLHKNRDSFLSHKKKSMLDSEVKNLLSDDNSEGLTLLDLLSFTYQVARGMEFLASKNCVHRDLAARNVLLAQGKIVKICDFGLARDIMHDSNYVSKGSTFLPVKWMAPESIFDNLYTTLSDVWSYGILLWEIFSLGGTPYPGMMVDSTFYNKIKSGYRMAKPDHATSEVYEIMVKCWNSEPEKRPSFYHLSEIVENLLPGQYKKSYEKIHLDFLKSD
Non polymer #2
A1JVO
InChI=1S/C26H28FN7O2/c1-26(28,17-4-6-19(27)7-5-17)18-14-29-25(30-15-18)34-10-8-33(9-11-34)24-20-12-22(35-2)23(36-3)13-21(20)31-16-32-24/h4-7,12-16H,8-11,28H2,1-3H3/t26-/m0/s1
InChI=1S/C26H28FN7O2/c1-26(28,17-4-6-19(27)7-5-17)18-14-29-25(30-15-18)34-10-8-33(9-11-34)24-20-12-22(35-2)23(36-3)13-21(20)31-16-32-24/h4-7,12-16H,8-11,28H2,1-3H3/t26-/m0/s1
SMILES: C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OC)OC)N
C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OC)OC)N
Biounit #1
monomer
Download coordinates
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Model
Reference
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