7RJ2
Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (C) | Capsid protein p24 | polymer | 231 | 25472.3 | 1 | UniProt (B6DRA0) Pfam (PF00607) Pfam (PF19317) UniProt (by SIFTS) (P12493) | Human immunodeficiency virus 1 | |
| 2 | B (C) | N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | non-polymer | 968.3 | 1 | Chemie (QNG) | |||
| 3 | C, D, E, F (C) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 4 | G (C) | IODIDE ION | non-polymer | 126.9 | 1 | Chemie (IOD) | |||
| 5 | H (C) | water | water | 18.0 | 189 | Chemie (HOH) |
Sequence modifications
C: 1 - 231 (UniProt: B6DRA0)
| PDB | External Database | Details |
|---|---|---|
| Cys 14 | Ala 146 | engineered mutation |
| Cys 45 | Glu 177 | engineered mutation |
| His 67 | Gln 199 | engineered mutation |
| Asp 74 | Asn 206 | engineered mutation |
| Ala 184 | Trp 316 | engineered mutation |
| Ala 185 | Met 317 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25472.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1237.0 | |
| All* | Total formula weight | 26709.3 |
