3OVN
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
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 | 163 | 17802.2 | 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, H (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E, I (A, B) | 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine | non-polymer | 179.2 | 2 | Chemie (MPV) | |||
| 5 | F, G, J, K (A, B) | CADMIUM ION | non-polymer | 112.4 | 4 | Chemie (CD) | |||
| 6 | L, M (A, B) | water | water | 18.0 | 57 | Chemie (HOH) |
Sequence modifications
A, B: 50 - 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 | 35604.3 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 342.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1000.3 | |
| All* | Total formula weight | 36946.9 |
