8A1P
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D
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, G, J (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 3 | F, M, N, P, Q (B, D) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 4 | H, L (B, D) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | I, O (B, D) | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid | non-polymer | 405.5 | 2 | Chemie (LF0) | |||
| 6 | K, R (B, D) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 7 | S, T, U, V (A, B, C, D) | water | water | 18.0 | 180 | 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 | 14 |
| Total formula weight | 1760.6 | |
| All* | Total formula weight | 105378.7 |
