8U6N
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((6-cyanonaphthalen-1-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ752), 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) | Gag-Pol polyprotein | polymer | 539 | 62224.3 | 1 | UniProt (P03366) | Human immunodeficiency virus type 1 BH10 | |
| 2 | B (B) | p51 RT | polymer | 428 | 50039.5 | 1 | UniProt (P03366) | Human immunodeficiency virus type 1 BH10 | |
| 3 | C (A) | 3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide | non-polymer | 360.4 | 1 | Chemie (VWK) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 8 | Chemie (HOH) |
Sequence modifications
A: 1 - 537 (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 | 112263.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 360.4 | |
| All* | Total formula weight | 112624.2 |
