2024-09-21_00000185
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ligand
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9CD7
FGFR3 Kinase Domain with Inhibitor TYRA-300;
X-ray diffraction 2.53Å
Protein #1
312 residues (89% resolved)
Raw Sequence ...
GPTLANVSELELPADPKWELSRARLTLGKPLGEGAFGQVVMAEAIGIDKDRAAKPVTVAVKMLKDDATDKDLSDLVSEMEMMKMIGKHKNIINLLGACTQGGPLYVLVEYAAKGNLREFLRARRPPGLDYSFDTSKPPEEQLTFKDLVSCAYQVARGMEYLASQKCIHRDLAARNVLVTEDNVMKIADFGLARDVHNLDYYKETTNGRLPVKWMAPEALFDRVYTHQSDVWSFGVLLWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTHDLYMIMRECWHAAPSQRPTFKQLVEDLDRVLTVTSTDE
Canonical Sequence ...
GPTLANVSELELPADPKWELSRARLTLGKPLGEGAFGQVVMAEAIGIDKDRAAKPVTVAVKMLKDDATDKDLSDLVSEMEMMKMIGKHKNIINLLGACTQGGPLYVLVEYAAKGNLREFLRARRPPGLDYSFDTSKPPEEQLTFKDLVSCAYQVARGMEYLASQKCIHRDLAARNVLVTEDNVMKIADFGLARDVHNLDYYKETTNGRLPVKWMAPEALFDRVYTHQSDVWSFGVLLWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTHDLYMIMRECWHAAPSQRPTFKQLVEDLDRVLTVTSTDE
Non polymer #2
A1AV2
InChI=1S/C25H24Cl2N6O3S/c1-15(23-19(26)9-28-10-20(23)27)36-17-4-5-21-18(7-17)24(31-30-21)16-3-6-22(29-8-16)32-11-25(12-32)13-33(14-25)37(2,34)35/h3-10,15H,11-14H2,1-2H3,(H,30,31)/t15-/m1/s1
InChI=1S/C25H24Cl2N6O3S/c1-15(23-19(26)9-28-10-20(23)27)36-17-4-5-21-18(7-17)24(31-30-21)16-3-6-22(29-8-16)32-11-25(12-32)13-33(14-25)37(2,34)35/h3-10,15H,11-14H2,1-2H3,(H,30,31)/t15-/m1/s1
SMILES: C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CC6(C5)CN(C6)S(=O)(=O)C
C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CC6(C5)CN(C6)S(=O)(=O)C
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Model
Reference
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