2026-08-08_00000204|ligand|9S6V

HIV-1 capsid (M-group) - native in complex with JW3-094; X-ray diffraction 2.36Å

Protein #1 231 residues (96% resolved)

Raw Sequence ...

PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL

Canonical Sequence ...

Non polymer #2 A1JL4

InChI=1S/C33H34F2N6O2S/c1-19-26(25-7-5-6-8-27(25)37-19)17-30(43)38-28(15-20-13-22(34)16-23(35)14-20)31-39-40-32(44-18-29(36)42)41(31)24-11-9-21(10-12-24)33(2,3)4/h5-14,16,28,37H,15,17-18H2,1-4H3,(H2,36,42)(H,38,43)/t28-/m0/s1

InChI=1S/C33H34F2N6O2S/c1-19-26(25-7-5-6-8-27(25)37-19)17-30(43)38-28(15-20-13-22(34)16-23(35)14-20)31-39-40-32(44-18-29(36)42)41(31)24-11-9-21(10-12-24)33(2,3)4/h5-14,16,28,37H,15,17-18H2,1-4H3,(H2,36,42)(H,38,43)/t28-/m0/s1

SMILES: Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3cc(cc(c3)F)F)c4nnc(n4c5ccc(cc5)C(C)(C)C)SCC(=O)N

Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3cc(cc(c3)F)F)c4nnc(n4c5ccc(cc5)C(C)(C)C)SCC(=O)N

Non polymer #3 BME

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

SMILES: [Cl-]

[Cl-]

Non polymer #5 IOD

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

SMILES: [I-]

[I-]

Biounit #1 homo-hexamer

Reference