2025-10-04_00000251|ligand|9Q9P

TRIM21 PRYSPRY bound to compound 37; X-ray diffraction 2.10Å

Protein #1 198 residues (93% resolved)

Raw Sequence ...

MAHHHHHHMVHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRKGHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFFSPGFNDGGKNTAPLTLCPLNIGSQGSTDY

Canonical Sequence ...

MAHHHHHHMVHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRKGHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFFSPGFNDGGKNTAPLTLCPLNIGSQGSTDY

Non polymer #2 A1I4X

InChI=1S/C30H41N5O4/c1-32-29(37)25(16-20-12-14-33-15-13-20)34-30(38)26-17-22(21-8-4-3-5-9-21)19-35(26)28(36)18-24(31)23-10-6-7-11-27(23)39-2/h6-7,10-15,21-22,24-26H,3-5,8-9,16-19,31H2,1-2H3,(H,32,37)(H,34,38)/t22-,24+,25+,26+/m1/s1

InChI=1S/C30H41N5O4/c1-32-29(37)25(16-20-12-14-33-15-13-20)34-30(38)26-17-22(21-8-4-3-5-9-21)19-35(26)28(36)18-24(31)23-10-6-7-11-27(23)39-2/h6-7,10-15,21-22,24-26H,3-5,8-9,16-19,31H2,1-2H3,(H,32,37)(H,34,38)/t22-,24+,25+,26+/m1/s1

SMILES: CNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C[C@@H](c3ccccc3OC)N)C4CCCCC4

CNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C[C@@H](c3ccccc3OC)N)C4CCCCC4

Biounit #1 monomer

Reference