4O5B
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Integrase | polymer | 163 | 18182.5 | 1 | UniProt (P12497) Pfam (PF00665) | Human immunodeficiency virus type 1 (HIV-1) | |
| 2 | B (A) | (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid | non-polymer | 464.0 | 1 | Chemie (LF9) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | water | water | 18.0 | 9 | Chemie (HOH) |
Sequence modifications
A: 50 - 212 (UniProt: P12497)
| PDB | External Database | Details |
|---|---|---|
| Thr 128 | Ala 1275 | engineered mutation |
| Lys 185 | Phe 1332 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18182.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 560.0 | |
| All* | Total formula weight | 18742.5 |
