2025-09-06_00000274|ligand|9S6W

HIV-1 capsid (M-group) - native in complex with JW3-100; X-ray diffraction 2.07Å
Protein #1 231 residues (96% resolved)

PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL

PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Non polymer #2 1PG

InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3

COCCOCCOCCOCCOCCO
Non polymer #3 A1JL5

InChI=1S/C31H31F2N5O2S/c1-31(2,3)20-5-7-23(8-6-20)38-29(36-37-30(38)41-4)27(13-18-11-21(32)15-22(33)12-18)35-28(40)14-19-17-34-26-10-9-24(39)16-25(19)26/h5-12,15-17,27,34,39H,13-14H2,1-4H3,(H,35,40)/t27-/m0/s1

CC(C)(C)c1ccc(cc1)n2c(nnc2SC)[C@H](Cc3cc(cc(c3)F)F)NC(=O)Cc4c[nH]c5c4cc(cc5)O
Non polymer #4 BME

InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2

C(CS)O
Non polymer #5 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #6 IOD

InChI=1S/HI/h1H/p-1

[I-]
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Reference