2026-08-08_00000205
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ligand
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9S6X
HIV-1 capsid (M-group) - native in complex with JW3-134;
X-ray diffraction 2.50Å
Protein #1
231 residues (96% resolved)
Raw Sequence ...
PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL
Canonical Sequence ...
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
InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
SMILES: COCCOCCOCCOCCOCCO
COCCOCCOCCOCCOCCO
Non polymer #3
A1JL6
InChI=1S/C34H35F3N6O2S/c1-19-26(27-16-22(35)8-11-28(27)39-19)17-30(44)40-29(14-20-12-23(36)15-24(37)13-20)32-41-42-33(46-18-31(45)38-5)43(32)25-9-6-21(7-10-25)34(2,3)4/h6-13,15-16,29,39H,14,17-18H2,1-5H3,(H,38,45)(H,40,44)/t29-/m0/s1
InChI=1S/C34H35F3N6O2S/c1-19-26(27-16-22(35)8-11-28(27)39-19)17-30(44)40-29(14-20-12-23(36)15-24(37)13-20)32-41-42-33(46-18-31(45)38-5)43(32)25-9-6-21(7-10-25)34(2,3)4/h6-13,15-16,29,39H,14,17-18H2,1-5H3,(H,38,45)(H,40,44)/t29-/m0/s1
SMILES: Cc1c(c2cc(ccc2[nH]1)F)CC(=O)N[C@@H](Cc3cc(cc(c3)F)F)c4nnc(n4c5ccc(cc5)C(C)(C)C)SCC(=O)NC
Cc1c(c2cc(ccc2[nH]1)F)CC(=O)N[C@@H](Cc3cc(cc(c3)F)F)c4nnc(n4c5ccc(cc5)C(C)(C)C)SCC(=O)NC
Non polymer #4
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 #5
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #6
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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