3BGR
Crystal structure of K103N/Y181C mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (Rilpivirine), a non-nucleoside RT inhibitor
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 | 63914.1 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) | Human immunodeficiency virus 1 | REVERSE TRANSCRIPTASE P66 SUBUNIT |
| 2 | B (B) | p51 RT | polymer | 428 | 50039.5 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) | Human immunodeficiency virus 1 | REVERSE TRANSCRIPTASE P51 SUBUNIT |
| 3 | C (A) | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile | non-polymer | 366.4 | 1 | Chemie (T27) | |||
| 4 | D (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 475 | 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 |
| Asn 103 | Lys 702 | engineered mutation |
| Ala 172 | Lys 771 | engineered mutation |
| Ala 173 | Lys 772 | engineered mutation |
| Cys 181 | Tyr 780 | 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 | 113953.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 428.5 | |
| All* | Total formula weight | 114382.1 |
