8U6H
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-(2-(3-acryloyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethoxy)-4-chlorophenoxy)-5-chlorobenzonitrile (JLJ744), 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, C (A, C) | Reverse transcriptase/ribonuclease H | polymer | 556 | 63932.2 | 2 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) | Human immunodeficiency virus type 1 BH10 | |
| 2 | B, D (B, D) | p51 RT | polymer | 428 | 50039.5 | 2 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) | Human immunodeficiency virus type 1 BH10 | |
| 3 | E, H (A, C) | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile | non-polymer | 496.3 | 2 | Chemie (VVE) | |||
| 4 | F, G (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 5 | I, J, K (A, B, C) | water | water | 18.0 | 17 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 554 (UniProt: P03366)
B, D: 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 | 4 |
| Total formula weight | 227943.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1182.6 | |
| All* | Total formula weight | 229126.0 |
