2026-05-23_00000312|ligand|9VGT

Crystal structure of Peroxiredoxin I in complex with compound 19-150; X-ray diffraction 1.79Å
Protein #1 175 residues (98% resolved)

MSSGNAKIGHPAPNFKATAVMPDGQFKDISLSDYKGKYVVFFFYPLDFTFVSPTEIIAFSDRAEEFKKLNCQVIGASVDSHFSHLAWVNTPKKQGGLGPMNIPLVSDPKRTIAQDYGVLKADEGISFRGLFIIDDKGILRQITVNDLPVGRSVDETLRLVQAFQFTDKHGEVCPA

MSSGNAKIGHPAPNFKATAVMPDGQFKDISLSDYKGKYVVFFFYPLDFTFVSPTEIIAFSDRAEEFKKLNCQVIGASVDSHFSHLAWVNTPKKQGGLGPMNIPLVSDPKRTIAQDYGVLKADEGISFRGLFIIDDKGILRQITVNDLPVGRSVDETLRLVQAFQFTDKHGEVCPA
Non polymer #2 A1ESV

InChI=1S/C33H45BrN2O5/c1-18-20-9-10-23-31(5)14-12-29(3)11-13-30(4,36-28(40)35-19(2)27(39)41-8)16-24(29)32(31,6)17-25(34)33(23,7)21(20)15-22(37)26(18)38/h9-10,15,19,24-25,38H,11-14,16-17H2,1-8H3,(H2,35,36,40)/t19-,24+,25-,29+,30+,31+,32-,33-/m0/s1

CC1=C(C(=O)C=C2C1=CC=C3[C@]2([C@H](C[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)NC(=O)N[C@@H](C)C(=O)OC)C)C)C)Br)C)O
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Reference