2026-08-08_00000203
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ligand
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9S6O
HIV-1 capsid (M-group) - native in complex with JW3-076;
X-ray diffraction 2.09Å
Protein #1
231 residues (96% resolved)
Raw Sequence ...
PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Canonical Sequence ...
PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Non polymer #2
A1JL3
InChI=1S/C28H27F2N3O3/c1-17-24(23-6-4-5-7-25(23)31-17)16-27(34)32-26(14-18-12-19(29)15-20(30)13-18)28(35)33(2)21-8-10-22(36-3)11-9-21/h4-13,15,26,31H,14,16H2,1-3H3,(H,32,34)/t26-/m0/s1
InChI=1S/C28H27F2N3O3/c1-17-24(23-6-4-5-7-25(23)31-17)16-27(34)32-26(14-18-12-19(29)15-20(30)13-18)28(35)33(2)21-8-10-22(36-3)11-9-21/h4-13,15,26,31H,14,16H2,1-3H3,(H,32,34)/t26-/m0/s1
SMILES: Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3cc(cc(c3)F)F)C(=O)N(C)c4ccc(cc4)OC
Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3cc(cc(c3)F)F)C(=O)N(C)c4ccc(cc4)OC
Non polymer #3
BME
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CS)O
C(CS)O
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #5
IOD
InChI=1S/HI/h1H/p-1
InChI=1S/HI/h1H/p-1
SMILES: [I-]
[I-]
Biounit #1
homo-hexamer
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Model
Reference
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