2025-10-04_00000243
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ligand
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9PGT
HIV Capsid Hexamer bound to Compound 12;
X-ray diffraction 2.20Å
Protein #1
232 residues (95% resolved)
Raw Sequence ...
MPIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Canonical Sequence ...
MPIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Non polymer #2
A1CH5
InChI=1S/C29H22ClF2N3O2/c30-20-5-3-18(4-6-20)24-2-1-9-33-29(24)27(12-17-10-21(31)14-22(32)11-17)35-28(37)13-19-16-34-26-8-7-23(36)15-25(19)26/h1-11,14-16,27,34,36H,12-13H2,(H,35,37)/t27-/m0/s1
InChI=1S/C29H22ClF2N3O2/c30-20-5-3-18(4-6-20)24-2-1-9-33-29(24)27(12-17-10-21(31)14-22(32)11-17)35-28(37)13-19-16-34-26-8-7-23(36)15-25(19)26/h1-11,14-16,27,34,36H,12-13H2,(H,35,37)/t27-/m0/s1
SMILES: c1cc(c(nc1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cc3c[nH]c4c3cc(cc4)O)c5ccc(cc5)Cl
c1cc(c(nc1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cc3c[nH]c4c3cc(cc4)O)c5ccc(cc5)Cl
Biounit #1
homo-hexamer
Download coordinates
Biounit #2
homo-hexamer
Download coordinates
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Model
Reference
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