2025-10-04_00000252|ligand|9Q9Q

TRIM21 PRYSPRY bound to compound 38; X-ray diffraction 2.25Å

Protein #1 198 residues (92% resolved)

Raw Sequence ...

MAHHHHHHMVHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRKGHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFFSPGFNDGGKNTAPLTLCPLNIGSQGSTDY

Canonical Sequence ...

MAHHHHHHMVHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRKGHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFFSPGFNDGGKNTAPLTLCPLNIGSQGSTDY

Non polymer #2 A1I4Y

InChI=1S/C27H37N5O4/c1-29-26(34)22(14-18-9-11-30-12-10-18)31-27(35)23-15-20(19-6-3-2-4-7-19)17-32(23)25(33)16-21(28)24-8-5-13-36-24/h5,8-13,19-23H,2-4,6-7,14-17,28H2,1H3,(H,29,34)(H,31,35)/t20-,21+,22+,23+/m1/s1

InChI=1S/C27H37N5O4/c1-29-26(34)22(14-18-9-11-30-12-10-18)31-27(35)23-15-20(19-6-3-2-4-7-19)17-32(23)25(33)16-21(28)24-8-5-13-36-24/h5,8-13,19-23H,2-4,6-7,14-17,28H2,1H3,(H,29,34)(H,31,35)/t20-,21+,22+,23+/m1/s1

SMILES: CNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C[C@@H](c3ccco3)N)C4CCCCC4

CNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C[C@@H](c3ccco3)N)C4CCCCC4

Biounit #1 monomer

Biounit #2 monomer

Reference