8DX3
HIV-1 reverse transcriptase/rilpivirine with bound fragment 3-bromobenzylamine in the thumb subdomain
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 | 557 | 63989.2 | 1 | UniProt (P03366) | Human immunodeficiency virus 1 | Exoribonuclease H, p66 RT |
| 2 | B (B) | p51 RT | polymer | 428 | 50039.5 | 1 | UniProt (P03366) | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) | |
| 3 | C (A) | 1-(3-bromophenyl)methanamine | non-polymer | 186.0 | 1 | Chemie (4JH) | |||
| 4 | D (A) | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile | non-polymer | 366.4 | 1 | Chemie (T27) | |||
| 5 | E, F, G, H, I... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 9 | Chemie (DMS) | |||
| 6 | J, R, S (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 7 | K (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 8 | L, M, T (A, B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 9 | U, V (A, B) | water | water | 18.0 | 357 | Chemie (HOH) |
Sequence modifications
A: 1 - 555 (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 | 114028.7 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 1754.4 | |
| All* | Total formula weight | 115783.1 |
