7RHN
Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | C | Capsid protein p24 | polymer | 231 | 25471.3 | 1 | UniProt (P12493) Pfam (PF00607) Pfam (PF19317) In PDB | Human immunodeficiency virus 1 (HIV-1) | CA |
| 2 | 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 | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 4 | C | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 5 | water | water | 18.0 | 47 | Chemie (HOH) |
Sequence modifications
C: 1 - 231 (UniProt: P12493)
| PDB | External Database | Details |
|---|---|---|
| Cys 14 | Ala 146 | conflict |
| Cys 45 | Glu 177 | conflict |
| His 67 | Gln 199 | engineered mutation |
| Ala 184 | Trp 316 | conflict |
| Ala 185 | Met 317 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25471.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1490.8 | |
| All* | Total formula weight | 26962.1 |
