6W0U
HIV Integrase core domain in complex with inhibitor 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)acetic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Integrase | polymer | 165 | 18049.5 | 1 | UniProt (F2WR39) Pfam (PF00665) UniProt (by SIFTS) (P12497) In PDB | Human immunodeficiency virus 1 (HIV-1) | |
| 2 | A | 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid | non-polymer | 214.2 | 1 | Chemie (S0Y) | |||
| 3 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | A | IODIDE ION | non-polymer | 126.9 | 5 | Chemie (IOD) | |||
| 5 | water | water | 18.0 | 26 | Chemie (HOH) |
Sequence modifications
A: 50 - 212 (UniProt: F2WR39)
| 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 | 18049.5 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 944.8 | |
| All* | Total formula weight | 18994.3 |
