6WC8
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-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 | 165 | 18001.5 | 1 | UniProt (F2WR52) Pfam (PF00665) | Human immunodeficiency virus 1 (HIV-1) | |
| 2 | B (A) | {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid | non-polymer | 376.4 | 1 | Chemie (TQM) | |||
| 3 | C, D, E, F (A) | IODIDE ION | non-polymer | 126.9 | 4 | Chemie (IOD) | |||
| 4 | G, H, I, J (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | K (A) | water | water | 18.0 | 26 | Chemie (HOH) |
Sequence modifications
A: 50 - 212 (UniProt: F2WR52)
| PDB | External Database | Details |
|---|---|---|
| Gly 48 | - | expression tag |
| Ser 49 | - | expression tag |
| Glu 53 | Gln 53 | engineered mutation |
| Glu 131 | Trp 131 | engineered mutation |
| Lys 185 | Phe 185 | engineered mutation |
| Glu 209 | Gln 209 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18001.5 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1268.3 | |
| All* | Total formula weight | 19269.8 |
