2024-06-08_00000285|ligand|9EY4

The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide; X-ray diffraction 1.16Å
Protein #1 128 residues (99% resolved)

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Non polymer #2 A1H78

InChI=1S/C20H23Cl2N3O4S/c1-2-14-15-6-7-17(19(23)26)24(15)20(27)18-5-3-4-16(14)25(18)30(28,29)13-9-11(21)8-12(22)10-13/h2,8-10,14-18H,1,3-7H2,(H2,23,26)/t14-,15-,16+,17-,18-/m0/s1

C=C[C@@H]1[C@H]2CCC[C@H](N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)C(=O)N4[C@H]1CC[C@H]4C(=O)N
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Reference