2026-05-09_00000070|ligand|9O6H

The Structure of PRMT4 in complex with SGC8172; X-ray diffraction 1.97Å

Protein #1 331 residues (100% resolved)

Raw Sequence ...

AVQYFQFYGYLSQQQNMMQDYVRTGTYQRAILQNHTDFKDKIVLDVGCGSGILSFFAAQAGARKIYAVEASTMAQHAEVLVKSNNLTDRIVVIPGKVEEVSLPEQVDIIISEPMGYMLFNERMLESYLHAKKYLKPSGNMFPTIGDVHLAPFTDEQLYMEQFTKANFWYQPSFHGVDLSALRGAAVDEYFRQPVVDTFDIRILMAKSVKYTVNFLEAKEGDLHRIEIPFKFHMLHSGLVHGLAFWFDVAFIGSIMTVWLSTAPTEPLTHWYQVRCLFQSPLFAKAGDTLSGTCLLIANKRQSYDISIVAQVDQTGSKSSNLLDLKNPFFRY

Canonical Sequence ...

Non polymer #2 A1B9W

InChI=1S/C26H29ClN6O3S/c27-19-7-5-17(6-8-19)18-4-1-3-16(11-18)12-29-9-2-10-37-13-20-22(34)23(35)26(36-20)33-15-32-21-24(28)30-14-31-25(21)33/h1,3-8,11,14-15,20,22-23,26,29,34-35H,2,9-10,12-13H2,(H2,28,30,31)/t20-,22-,23-,26-/m1/s1

InChI=1S/C26H29ClN6O3S/c27-19-7-5-17(6-8-19)18-4-1-3-16(11-18)12-29-9-2-10-37-13-20-22(34)23(35)26(36-20)33-15-32-21-24(28)30-14-31-25(21)33/h1,3-8,11,14-15,20,22-23,26,29,34-35H,2,9-10,12-13H2,(H2,28,30,31)/t20-,22-,23-,26-/m1/s1

SMILES: c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O

c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O

Biounit #1 monomer

Biounit #2 monomer

Biounit #3 monomer

Biounit #4 monomer

Reference