8VRP
HIV-CA Disulfide linked Hexamer bound to 4-Quinazolinone Scaffold inhibitor
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 (B, C, A) | Spacer peptide 1 | polymer | 229 | 25249.0 | 3 | UniProt (P12493) | Human immunodeficiency virus 1 | SP1,p2 |
| 2 | D, F, I (B, C, A) | N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide | non-polymer | 979.3 | 3 | Chemie (A1ADQ) | |||
| 3 | E, G, H, J (B, C, A) | IODIDE ION | non-polymer | 126.9 | 4 | Chemie (IOD) | |||
| 4 | K, L, M (B, C, A) | water | water | 18.0 | 330 | Chemie (HOH) |
Sequence modifications
B, C, A: 1 - 229 (UniProt: P12493)
| PDB | External Database | Details |
|---|---|---|
| Cys 14 | Ala 146 | engineered mutation |
| Cys 45 | Glu 177 | 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 | 3 |
| Total formula weight | 75746.9 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 3445.4 | |
| All* | Total formula weight | 79192.4 |
