8A1Q
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir)
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) | Integrase | polymer | 233 | 25904.5 | 4 | UniProt (P12497) Pfam (PF00665) | Human immunodeficiency virus 1 | IN |
| 2 | E, F, G, H, I... (A, B, C, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 15 | Chemie (EDO) | |||
| 3 | N, R (B, D) | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid | non-polymer | 495.0 | 2 | Chemie (WBV) | |||
| 4 | O, W (B, D) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | AA, X, Y, Z (D, A, B, C) | water | water | 18.0 | 110 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 220 - 288 (UniProt: P12497)
A, B, C, D: 289 - 451 (UniProt: P12497)
| PDB | External Database | Details |
|---|---|---|
| Ser 219 | - | expression tag |
| Glu 243 | Trp 1390 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Lys 424 | Phe 1332 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 103618.1 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 1969.7 | |
| All* | Total formula weight | 105587.8 |
