9N0V
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, KFA-027
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Capsid protein p24 | polymer | 220 | 24386.0 | 4 | UniProt (P12497) Pfam (PF19317) | Human immunodeficiency virus 1 | CA |
| 2 | E, F, G, H (A, B, C, D) | N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-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 | 932.3 | 4 | Chemie (A1BUL) |
Sequence modifications
A, B, C, D: 1 - 220 (UniProt: P12497)
| PDB | External Database | Details |
|---|---|---|
| Cys 14 | Ala 146 | conflict |
| Cys 45 | Glu 177 | conflict |
| Ala 184 | Trp 316 | conflict |
| Ala 185 | Met 317 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 97543.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 3729.2 | |
| All* | Total formula weight | 101273.1 |
