7SNN
Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Capsid protein p24 | polymer | 231 | 25461.3 | 1 | UniProt (P03366) Pfam (PF19317) | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) | CA |
| 2 | B, C, D (A) | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 3 | E (A) | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide | non-polymer | 755.1 | 1 | Chemie (9WW) | |||
| 4 | F, G, H, I, J... (A) | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 5 | M (A) | water | water | 18.0 | 115 | Chemie (HOH) |
Sequence modifications
A: 1 - 231 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Leu 6 | Ile 138 | conflict |
| Cys 14 | Ala 146 | engineered mutation |
| Cys 45 | Glu 177 | engineered mutation |
| Leu 83 | Val 215 | conflict |
| His 120 | Asn 252 | conflict |
| Ala 184 | Trp 316 | engineered mutation |
| Ala 185 | Met 317 | engineered mutation |
| Gly 208 | Ala 340 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25461.3 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1384.0 | |
| All* | Total formula weight | 26845.3 |
