8U6P
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Reverse transcriptase/ribonuclease H | polymer | 557 | 63989.2 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB | Human immunodeficiency virus 1 | Exoribonuclease H, p66 RT |
2 | B | p51 RT | polymer | 428 | 50039.5 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB | Human immunodeficiency virus 1 | |
3 | A | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide | non-polymer | 349.4 | 1 | Chemie (VOI) | |||
4 | A | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
5 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
6 | water | water | 18.0 | 26 | 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 | 4 |
Total formula weight | 563.6 | |
All* | Total formula weight | 114592.4 |