2026-09-05_00000273|ligand|9WOJ

Crystal structure of Human FN3K bound with TDI-017425-NX-1; X-ray diffraction 2.83Å

Protein #1 310 residues (94% resolved)

Raw Sequence ...

GMEQLLRAELRTATLRAFGGPGAGCISEGRAYDTDAGPVFVKVNRRTQARQMFEGEVASLEALRSTGLVRVPRPMKVIDLPGGGAAFVMEHLKMKSLSSQASKLGEQMADLHLYNQKLREKLKEEENTVGRRGEGAEPQYVDKFGFHTVTCCGFIPQVNEWQDDWPTFFARHRLQAQLDLIEKDYADREARELWSRLQVKIPDLFCGLEIVPALLHGDLWSGNVAEDDVGPIIYDPASFYGHSEFELAIALMFGGFPRSFFTAYHRKIPKAPGFDQRLLLYQLFNYLNHWNHFGREYRSPSLGTMRRLLK

Canonical Sequence ...

Non polymer #2 A1MBY

InChI=1S/C34H34N6O2/c1-35-34-37-20-27-18-17-26(19-30(27)39-34)33(42)38-31(24-9-5-4-6-10-24)21-36-32(41)25-15-13-23(14-16-25)29-12-8-7-11-28(29)22-40(2)3/h4-20,31H,21-22H2,1-3H3,(H,36,41)(H,38,42)(H,35,37,39)/t31-/m1/s1

InChI=1S/C34H34N6O2/c1-35-34-37-20-27-18-17-26(19-30(27)39-34)33(42)38-31(24-9-5-4-6-10-24)21-36-32(41)25-15-13-23(14-16-25)29-12-8-7-11-28(29)22-40(2)3/h4-20,31H,21-22H2,1-3H3,(H,36,41)(H,38,42)(H,35,37,39)/t31-/m1/s1

SMILES: CNc1ncc2ccc(cc2n1)C(=O)N[C@H](CNC(=O)c3ccc(cc3)c4ccccc4CN(C)C)c5ccccc5

CNc1ncc2ccc(cc2n1)C(=O)N[C@H](CNC(=O)c3ccc(cc3)c4ccccc4CN(C)C)c5ccccc5

Biounit #1 monomer

Biounit #2 monomer

Biounit #3 monomer

Biounit #4 monomer

Reference