2026-09-05_00000274
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ligand
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9WOK
Crystal structure of Human FN3K bound with TDI-017058-FA-1;
X-ray diffraction 2.45Å
Protein #1
310 residues (94% resolved)
Raw Sequence ...
GMEQLLRAELRTATLRAFGGPGAGCISEGRAYDTDAGPVFVKVNRRTQARQMFEGEVASLEALRSTGLVRVPRPMKVIDLPGGGAAFVMEHLKMKSLSSQASKLGEQMADLHLYNQKLREKLKEEENTVGRRGEGAEPQYVDKFGFHTVTCCGFIPQVNEWQDDWPTFFARHRLQAQLDLIEKDYADREARELWSRLQVKIPDLFCGLEIVPALLHGDLWSGNVAEDDVGPIIYDPASFYGHSEFELAIALMFGGFPRSFFTAYHRKIPKAPGFDQRLLLYQLFNYLNHWNHFGREYRSPSLGTMRRLLK
Canonical Sequence ...
GMEQLLRAELRTATLRAFGGPGAGCISEGRAYDTDAGPVFVKVNRRTQARQMFEGEVASLEALRSTGLVRVPRPMKVIDLPGGGAAFVMEHLKMKSLSSQASKLGEQMADLHLYNQKLREKLKEEENTVGRRGEGAEPQYVDKFGFHTVTCCGFIPQVNEWQDDWPTFFARHRLQAQLDLIEKDYADREARELWSRLQVKIPDLFCGLEIVPALLHGDLWSGNVAEDDVGPIIYDPASFYGHSEFELAIALMFGGFPRSFFTAYHRKIPKAPGFDQRLLLYQLFNYLNHWNHFGREYRSPSLGTMRRLLK
Non polymer #2
A1MBZ
InChI=1S/C26H31N5O3S/c1-16-21-13-20(14-27-25(21)35-29-16)26(34)31-11-8-22(23(32)15-31)28-24(33)19-5-3-4-18(12-19)17-6-9-30(2)10-7-17/h3-5,12-14,17,22-23,32H,6-11,15H2,1-2H3,(H,28,33)/t22-,23-/m1/s1
InChI=1S/C26H31N5O3S/c1-16-21-13-20(14-27-25(21)35-29-16)26(34)31-11-8-22(23(32)15-31)28-24(33)19-5-3-4-18(12-19)17-6-9-30(2)10-7-17/h3-5,12-14,17,22-23,32H,6-11,15H2,1-2H3,(H,28,33)/t22-,23-/m1/s1
SMILES: Cc1c2cc(cnc2sn1)C(=O)N3CC[C@H]([C@@H](C3)O)NC(=O)c4cccc(c4)C5CCN(CC5)C
Cc1c2cc(cnc2sn1)C(=O)N3CC[C@H]([C@@H](C3)O)NC(=O)c4cccc(c4)C5CCN(CC5)C
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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