8VUF
Crystal structure of GH9 (K101P, K103N, V108I) HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 5i3
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 | 63956.1 | 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 1 | |
| 3 | C, H, I, M, N... (A, B) | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 4 | D (A) | (2E)-3-[4-({2-[(1-{[4-(methanesulfonyl)phenyl]methyl}piperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl}oxy)-3,5-dimethylphenyl]prop-2-enenitrile | non-polymer | 568.7 | 1 | Chemie (WB3) PubChem (158267223) | |||
| 5 | E, F, K, L (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 6 | G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) PubChem (679) | |||
| 7 | J (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 8 | R, S (A, B) | water | water | 18.0 | 283 | 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 |
| Pro 101 | Lys 700 | engineered mutation |
| Asn 103 | Lys 702 | engineered mutation |
| Ile 108 | Val 707 | engineered mutation |
| Ala 172 | Lys 771 | conflict |
| 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 | 113995.6 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1687.9 | |
| All* | Total formula weight | 115683.5 |
