3VQQ
HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | POL polyprotein | polymer | 158 | 17248.5 | 2 | UniProt (Q72498) Pfam (PF00665) | Human immunodeficiency virus 1 | |
| 2 | C (C) | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900003) | sucrose | ||
| 3 | D, E, I, J (A, B) | CADMIUM ION | non-polymer | 112.4 | 4 | Chemie (CD) | |||
| 4 | F, K (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | G, H (A) | 2,1,3-benzothiadiazol-4-amine | non-polymer | 151.2 | 2 | Chemie (BTE) | |||
| 6 | L, M (A, B) | water | water | 18.0 | 95 | Chemie (HOH) |
Sequence modifications
A, B: 55 - 212 (UniProt: Q72498)
| PDB | External Database | Details |
|---|---|---|
| Ser 56 | Cys 771 | engineered mutation |
| Asp 131 | Trp 846 | engineered mutation |
| Asp 139 | Phe 854 | engineered mutation |
| His 185 | Phe 900 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 34497.0 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 342.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 944.1 | |
| All* | Total formula weight | 35783.5 |
