2JLE
Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | REVERSE TRANSCRIPTASE/RNASEH | polymer | 566 | 65223.7 | 2 | UniProt (Q72547) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB | HUMAN IMMUNODEFICIENCY VIRUS 1 | REVERSE TRANSCRIPTASE |
| 2 | A | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile | non-polymer | 292.3 | 1 | Chemie (I15) | |||
| 3 | water | water | 18.0 | 239 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 566 (UniProt: Q72547)
| PDB | External Database | Details |
|---|---|---|
| Lys 103 | Arg 103 | conflict |
| Lys 350 | Arg 350 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 130447.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 292.3 | |
| All* | Total formula weight | 130739.6 |
