7LQP
Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
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 | 17857.3 | 2 | UniProt (Q76353) UniProt (by SIFTS) (P12497) | Human immunodeficiency virus 1 (HIV-1) | |
| 2 | C, D, E, F, M... (A, B) | IODIDE ION | non-polymer | 126.9 | 6 | Chemie (IOD) | |||
| 3 | G, H, I, J, K... (A, B) | SULFATE ION | non-polymer | 96.1 | 12 | Chemie (SO4) | |||
| 4 | U (B) | 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid | non-polymer | 780.8 | 1 | Chemie (YAV) | |||
| 5 | V, W (A, B) | water | water | 18.0 | 75 | Chemie (HOH) |
Sequence modifications
A, B: 57 - 212 (UniProt: Q76353)
| PDB | External Database | Details |
|---|---|---|
| Met 50 | - | expression tag |
| His 51 | - | expression tag |
| Gly 52 | - | expression tag |
| Glu 53 | - | expression tag |
| Val 54 | - | expression tag |
| Asp 55 | - | expression tag |
| Ser 56 | - | expression tag |
| 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 | 35714.6 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 2695.0 | |
| All* | Total formula weight | 38409.6 |
