2025-10-04_00000253|ligand|9Q9R

TRIM21 PRYSPRY bound to compound 209; X-ray diffraction 2.33Å

Protein #1 198 residues (92% resolved)

Raw Sequence ...

MAHHHHHHMVHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRKGHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFFSPGFNDGGKNTAPLTLCPLNIGSQGSTDY

Canonical Sequence ...

MAHHHHHHMVHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRKGHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFFSPGFNDGGKNTAPLTLCPLNIGSQGSTDY

Non polymer #2 A1I4W

InChI=1S/C33H47N5O6/c1-35-32(41)28(19-23-11-13-36-14-12-23)37-33(42)29-20-25(24-7-3-2-4-8-24)22-38(29)31(40)21-27(34)26-9-5-6-10-30(26)44-18-17-43-16-15-39/h5-6,9-14,24-25,27-29,39H,2-4,7-8,15-22,34H2,1H3,(H,35,41)(H,37,42)/t25-,27+,28+,29+/m1/s1

InChI=1S/C33H47N5O6/c1-35-32(41)28(19-23-11-13-36-14-12-23)37-33(42)29-20-25(24-7-3-2-4-8-24)22-38(29)31(40)21-27(34)26-9-5-6-10-30(26)44-18-17-43-16-15-39/h5-6,9-14,24-25,27-29,39H,2-4,7-8,15-22,34H2,1H3,(H,35,41)(H,37,42)/t25-,27+,28+,29+/m1/s1

SMILES: CNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C[C@@H](c3ccccc3OCCOCCO)N)C4CCCCC4

CNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C[C@@H](c3ccccc3OCCOCCO)N)C4CCCCC4

Biounit #1 monomer

Reference