4NCG
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
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 | 563 | 64895.3 | 1 | UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) | Human immunodeficiency virus 1 | |
| 2 | B (B) | p51 RT | polymer | 443 | 51731.4 | 1 | UniProt (P04585) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) | Human immunodeficiency virus 1 | |
| 3 | C (A) | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile | non-polymer | 425.7 | 1 | Chemie (2KW) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 86 | Chemie (HOH) |
Sequence modifications
A: 1 - 560 (UniProt: P04585)
B: -2 - 440 (UniProt: P04585)
| PDB | External Database | Details |
|---|---|---|
| Met -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ser 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met -2 | Leu 585 | engineered mutation |
| Ser 0 | Phe 587 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 116626.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 425.7 | |
| All* | Total formula weight | 117052.5 |
