2026-07-25_00000061
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ligand
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32QO
Human TRIM21 PRYSPRY domain in complex with compound 28 (Z38);
X-ray diffraction 1.30Å
Protein #1
181 residues (99% resolved)
Raw Sequence ...
SMVHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRKGHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFFSPGFNDGGKNTAPLTLCPL
Canonical Sequence ...
SMVHITLDPDTANPWLILSEDRRQVRLGDTQQSIPGNEERFDSYPMVLGAQHFHSGKHYWEVDVTGKEAWDLGVCRDSVRRKGHFLLSSKSGFWTIWLWNKQKYEAGTYPQTPLHLQVPPCQVGIFLDYEAGMVSFYNITDHGSLIYSFSECAFTGPLRPFFSPGFNDGGKNTAPLTLCPL
Non polymer #2
A1KEG
InChI=1S/C23H29FN2O3S2/c1-26(14-16-6-4-5-7-20(16)25)23(27)19-10-8-15(12-22(19)31(3,28)29)18-11-9-17(24)13-21(18)30-2/h8-13,16,20H,4-7,14,25H2,1-3H3/t16-,20+/m0/s1
InChI=1S/C23H29FN2O3S2/c1-26(14-16-6-4-5-7-20(16)25)23(27)19-10-8-15(12-22(19)31(3,28)29)18-11-9-17(24)13-21(18)30-2/h8-13,16,20H,4-7,14,25H2,1-3H3/t16-,20+/m0/s1
SMILES: CN(C[C@@H]1CCCC[C@H]1N)C(=O)c2ccc(cc2S(=O)(=O)C)c3ccc(cc3SC)F
CN(C[C@@H]1CCCC[C@H]1N)C(=O)c2ccc(cc2S(=O)(=O)C)c3ccc(cc3SC)F
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Model
Reference
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