7RQ0
HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)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, B (A, B) | Integrase | polymer | 163 | 17841.3 | 2 | UniProt (Q76353) UniProt (by SIFTS) (P12497) | Human immunodeficiency virus 1 (HIV-1) | |
| 2 | C, D, H, I, J... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 3 | E, F, G, M, N (A, B) | IODIDE ION | non-polymer | 126.9 | 5 | Chemie (IOD) | |||
| 4 | L (B) | {2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid | non-polymer | 733.9 | 1 | Chemie (6I2) | |||
| 5 | O, P (A, B) | water | water | 18.0 | 59 | Chemie (HOH) |
Sequence modifications
A, B: 50 - 212 (UniProt: Q76353)
| PDB | External Database | Details |
|---|---|---|
| Glu 53 | Gln 53 | conflict |
| Ser 56 | Cys 56 | conflict |
| Glu 131 | Trp 131 | conflict |
| Lys 185 | Phe 185 | conflict |
| Glu 209 | Gln 209 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 35682.6 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1944.7 | |
| All* | Total formula weight | 37627.3 |
