2025-10-04_00000242
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ligand
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9PGS
HIV Capsid Hexamer bound to Compound 6;
X-ray diffraction 2.40Å
Protein #1
232 residues (95% resolved)
Raw Sequence ...
MPIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Canonical Sequence ...
MPIVQNLQGQMVHQCISPRTLNAWVKVVEEKAFSPEVIPMFSALSCGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNAATETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Non polymer #2
A1CH4
InChI=1S/C27H25F2N3O4/c1-32(20-3-6-22(36-2)7-4-20)27(35)25(11-16-9-18(28)13-19(29)10-16)31-26(34)12-17-15-30-24-8-5-21(33)14-23(17)24/h3-10,13-15,25,30,33H,11-12H2,1-2H3,(H,31,34)/t25-/m0/s1
InChI=1S/C27H25F2N3O4/c1-32(20-3-6-22(36-2)7-4-20)27(35)25(11-16-9-18(28)13-19(29)10-16)31-26(34)12-17-15-30-24-8-5-21(33)14-23(17)24/h3-10,13-15,25,30,33H,11-12H2,1-2H3,(H,31,34)/t25-/m0/s1
SMILES: CN(c1ccc(cc1)OC)C(=O)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cc3c[nH]c4c3cc(cc4)O
CN(c1ccc(cc1)OC)C(=O)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cc3c[nH]c4c3cc(cc4)O
Biounit #1
homo-hexamer
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Biounit #2
homo-hexamer
Download coordinates
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Model
Reference
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