2026-08-29_00000235
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ligand
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9WGT
Crystal structure of FGFR1 kinase domain in complex with LJ5350((2R,3R,4S,5R)-2-(4-amino-5-(7-methoxy-5-methylbenzo[b]thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(aminomethyl)tetrahydrofuran-3,4-diol);
X-ray diffraction 1.90Å
Protein #1
308 residues (95% resolved)
Raw Sequence ...
AGVSEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYSYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQE
Canonical Sequence ...
AGVSEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYSYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQE
Non polymer #2
A1MBK
InChI=1S/C21H23N5O4S/c1-9-3-10-5-14(31-18(10)12(4-9)29-2)11-7-26(20-15(11)19(23)24-8-25-20)21-17(28)16(27)13(6-22)30-21/h3-5,7-8,13,16-17,21,27-28H,6,22H2,1-2H3,(H2,23,24,25)/t13-,16-,17-,21-/m1/s1
InChI=1S/C21H23N5O4S/c1-9-3-10-5-14(31-18(10)12(4-9)29-2)11-7-26(20-15(11)19(23)24-8-25-20)21-17(28)16(27)13(6-22)30-21/h3-5,7-8,13,16-17,21,27-28H,6,22H2,1-2H3,(H2,23,24,25)/t13-,16-,17-,21-/m1/s1
SMILES: Cc1cc2cc(sc2c(c1)OC)c3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](O5)CN)O)O
Cc1cc2cc(sc2c(c1)OC)c3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](O5)CN)O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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