5C24
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-6,8-dimethylindolizine-2-carbonitrile (JLJ605), 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 (A) | HIV-1 REVERSE TRANSCRIPTASE, P66 SUBUNIT | polymer | 537 | 61801.8 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) | Pr160Gag-Pol |
| 2 | B (B) | HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT | polymer | 412 | 48253.5 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) | Pr160Gag-Pol |
| 3 | C (A) | 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile | non-polymer | 380.4 | 1 | Chemie (4XO) | |||
| 4 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | E (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | F, G (A, B) | water | water | 18.0 | 20 | Chemie (HOH) |
Sequence modifications
A: 1 - 545 (UniProt: P03366)
B: 5 - 428 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| Val 0 | - | expression tag |
| - | Lys 665 | deletion |
| - | Asp 666 | deletion |
| - | Ser 667 | deletion |
| - | Thr 668 | deletion |
| Ala 172 | Lys 771 | engineered mutation |
| Ala 173 | Lys 772 | engineered mutation |
| - | Asp 817 | deletion |
| - | Lys 818 | deletion |
| - | Lys 819 | deletion |
| - | His 820 | deletion |
| Ala 218 | Gln 821 | engineered mutation |
| Ser 280 | Cys 879 | engineered mutation |
| - | Gly 884 | deletion |
| - | Thr 885 | deletion |
| PDB | External Database | Details |
|---|---|---|
| - | Thr 814 | deletion |
| - | Thr 815 | deletion |
| - | Pro 816 | deletion |
| - | Asp 817 | deletion |
| - | Lys 818 | deletion |
| - | Lys 819 | deletion |
| - | His 820 | deletion |
| - | Gln 821 | deletion |
| - | Lys 822 | deletion |
| - | Glu 823 | deletion |
| - | Pro 824 | deletion |
| - | Pro 825 | deletion |
| Ser 280 | Cys 879 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 110055.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 500.8 | |
| All* | Total formula weight | 110556.1 |
