8U6I
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ745), a non-nucleoside inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Reverse transcriptase/ribonuclease H | polymer | 556 | 63932.2 | 1 | UniProt (P03366) | Human immunodeficiency virus 1 | |
| 2 | B (B) | p51 RT | polymer | 428 | 50039.5 | 1 | UniProt (P03366) | Human immunodeficiency virus 1 | |
| 3 | C (A) | N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide | non-polymer | 363.4 | 1 | Chemie (VVN) | |||
| 4 | D, E, F (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 5 | G, H (A, B) | water | water | 18.0 | 20 | Chemie (HOH) |
Sequence modifications
A: 1 - 554 (UniProt: P03366)
B: 1 - 428 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | expression tag |
| Val 0 | - | expression tag |
| Ala 172 | Lys 771 | engineered mutation |
| Ala 173 | Lys 772 | engineered mutation |
| Ser 280 | Cys 879 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ser 280 | Cys 879 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 113971.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 436.3 | |
| All* | Total formula weight | 114408.0 |
