6WE7
HIV Integrase core domain in complex with inhibitor 3-methyl-2-{5-methyl-2-[2-(thiophen-2-yl)ethynyl]-1- benzofuran-3-yl}butanoic 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 | 18048.5 | 1 | UniProt (F2WR52) Pfam (PF00665) In PDB | Human immunodeficiency virus 1 (HIV-1) | |
| 2 | A | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 3 | A | IODIDE ION | non-polymer | 126.9 | 2 | Chemie (IOD) | |||
| 4 | A | (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid | non-polymer | 338.4 | 1 | Chemie (TXM) | |||
| 5 | water | water | 18.0 | 34 | 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 |
| Glu 155 | Asn 155 | conflict |
| 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 | 18048.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1072.5 | |
| All* | Total formula weight | 19121.0 |
