2024-12-07_00000181|ligand|8V17

HIV-CA Disulfide linked Hexamer with inhibitor bound - exploration of a benzothiazole; X-ray diffraction 1.50Å
Protein #1 229 residues (96% resolved)

PIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKAR

PIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKAR
Non polymer #2 Y4X

InChI=1S/C27H22F2N4O3S/c1-33(19-2-5-25-23(11-19)31-14-37-25)27(36)24(8-15-6-17(28)10-18(29)7-15)32-26(35)9-16-13-30-22-4-3-20(34)12-21(16)22/h2-7,10-14,24,30,34H,8-9H2,1H3,(H,32,35)/t24-/m1/s1

CN(c1ccc2c(c1)ncs2)C(=O)[C@H](Cc3cc(cc(c3)F)F)NC(=O)Cc4c[nH]c5c4cc(cc5)O
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Reference