4WE1
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600)
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 | 557 | 63989.2 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) | Human immunodeficiency virus type 1 group M subtype B (HIV-1) | Pr160Gag-Pol |
| 2 | B (B) | Gag-Pol polyprotein | polymer | 428 | 50039.5 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) | Human immunodeficiency virus type 1 group M subtype B (HIV-1) | Pr160Gag-Pol |
| 3 | C (A) | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile | non-polymer | 399.4 | 1 | Chemie (3LQ) | |||
| 4 | D, E (A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | F, G, H, I (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 84 | Chemie (HOH) |
Sequence modifications
A: 1 - 555 (UniProt: P03366)
B: 1 - 428 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| 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 | 114028.7 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 832.3 | |
| All* | Total formula weight | 114861.0 |
