2026-09-05_00000272|ligand|9WOI

Crystal structure of Human FN3K bound with TDI-016948-NX-2; X-ray diffraction 2.24Å

Protein #1 310 residues (86% resolved)

Raw Sequence ...

GMEQLLRAELRTATLRAFGGPGAGCISEGRAYDTDAGPVFVKVNRRTQARQMFEGEVASLEALRSTGLVRVPRPMKVIDLPGGGAAFVMEHLKMKSLSSQASKLGEQMADLHLYNQKLREKLKEEENTVGRRGEGAEPQYVDKFGFHTVTCCGFIPQVNEWQDDWPTFFARHRLQAQLDLIEKDYADREARELWSRLQVKIPDLFCGLEIVPALLHGDLWSGNVAEDDVGPIIYDPASFYGHSEFELAIALMFGGFPRSFFTAYHRKIPKAPGFDQRLLLYQLFNYLNHWNHFGREYRSPSLGTMRRLLK

Canonical Sequence ...

Non polymer #2 A1MBX

InChI=1S/C33H33N5O2/c1-22-29-19-26(17-18-30(29)37-36-22)33(40)35-31(24-9-5-4-6-10-24)20-34-32(39)25-15-13-23(14-16-25)28-12-8-7-11-27(28)21-38(2)3/h4-19,31H,20-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,37)/t31-/m1/s1

InChI=1S/C33H33N5O2/c1-22-29-19-26(17-18-30(29)37-36-22)33(40)35-31(24-9-5-4-6-10-24)20-34-32(39)25-15-13-23(14-16-25)28-12-8-7-11-27(28)21-38(2)3/h4-19,31H,20-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,37)/t31-/m1/s1

SMILES: Cc1c2cc(ccc2[nH]n1)C(=O)N[C@H](CNC(=O)c3ccc(cc3)c4ccccc4CN(C)C)c5ccccc5

Cc1c2cc(ccc2[nH]n1)C(=O)N[C@H](CNC(=O)c3ccc(cc3)c4ccccc4CN(C)C)c5ccccc5

Biounit #1 monomer

Biounit #2 monomer

Reference