2026-08-15_00000120|ligand|9S7M

HIV-1 capsid (M-group) - native in complex with JW3-093; X-ray diffraction 2.60Å

Protein #1 231 residues (96% resolved)

Raw Sequence ...

PIVQNLQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPGATLEEMMTACQGVGGPGHKARVL

Canonical Sequence ...

Non polymer #2 A1JMD

InChI=1S/C32H32F2N6O3S/c1-32(2,3)20-4-6-23(7-5-20)40-30(38-39-31(40)44-17-28(35)42)27(12-18-10-21(33)14-22(34)11-18)37-29(43)13-19-16-36-26-9-8-24(41)15-25(19)26/h4-11,14-16,27,36,41H,12-13,17H2,1-3H3,(H2,35,42)(H,37,43)/t27-/m0/s1

InChI=1S/C32H32F2N6O3S/c1-32(2,3)20-4-6-23(7-5-20)40-30(38-39-31(40)44-17-28(35)42)27(12-18-10-21(33)14-22(34)11-18)37-29(43)13-19-16-36-26-9-8-24(41)15-25(19)26/h4-11,14-16,27,36,41H,12-13,17H2,1-3H3,(H2,35,42)(H,37,43)/t27-/m0/s1

SMILES: CC(C)(C)c1ccc(cc1)n2c(nnc2SCC(=O)N)[C@H](Cc3cc(cc(c3)F)F)NC(=O)Cc4c[nH]c5c4cc(cc5)O

CC(C)(C)c1ccc(cc1)n2c(nnc2SCC(=O)N)[C@H](Cc3cc(cc(c3)F)F)NC(=O)Cc4c[nH]c5c4cc(cc5)O

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