2025-01-11_00000367|ligand|9HIN

Crystal structure of human TRIM7 PRYSPRY domain bound to ((S)-2-(6-(6-methoxypyridin-3-yl)-1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine; X-ray diffraction 1.55Å

Protein #1 175 residues (97% resolved)

Raw Sequence ...

GKEEKVELTLDPDTANPRLILSLDLKGVRLGERAQDLPNHPCRFDTNTRVLASCGFSSGRHHWEVEVGSKDGWAFGVARESVRRKGLTPFTPEEGVWALQLNGGQYWAVTSPERSPLSCGHLSRVRVALDLEVGAVSFYAVEDMRHLYTFRVNFQERVFPLFSVCSTGTYLRIWP

Canonical Sequence ...

GKEEKVELTLDPDTANPRLILSLDLKGVRLGERAQDLPNHPCRFDTNTRVLASCGFSSGRHHWEVEVGSKDGWAFGVARESVRRKGLTPFTPEEGVWALQLNGGQYWAVTSPERSPLSCGHLSRVRVALDLEVGAVSFYAVEDMRHLYTFRVNFQERVFPLFSVCSTGTYLRIWP

Non polymer #2 A1IU9

InChI=1S/C28H28N4O6/c1-38-25-12-9-19(15-30-25)18-7-8-20-16-32(27(35)21(20)14-18)23(13-17-5-3-2-4-6-17)26(34)31-22(28(36)37)10-11-24(29)33/h2-9,12,14-15,22-23H,10-11,13,16H2,1H3,(H2,29,33)(H,31,34)(H,36,37)/t22-,23-/m0/s1

InChI=1S/C28H28N4O6/c1-38-25-12-9-19(15-30-25)18-7-8-20-16-32(27(35)21(20)14-18)23(13-17-5-3-2-4-6-17)26(34)31-22(28(36)37)10-11-24(29)33/h2-9,12,14-15,22-23H,10-11,13,16H2,1H3,(H2,29,33)(H,31,34)(H,36,37)/t22-,23-/m0/s1

SMILES: COc1ccc(cn1)c2ccc3c(c2)C(=O)N(C3)[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)O

COc1ccc(cn1)c2ccc3c(c2)C(=O)N(C3)[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)O

Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Non polymer #4 TLA

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1

SMILES: [C@@H]([C@H](C(=O)O)O)(C(=O)O)O

[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Biounit #1 monomer

Reference