8VUM
Crystal structure of GH9 (K101P, K103N, V108I) HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 5e2
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 type 1 BH10 | Exoribonuclease H,p66 RT |
| 2 | B (B) | p51 RT | polymer | 428 | 50039.5 | 1 | UniProt (P03366) | Human immunodeficiency virus 1 | |
| 3 | C, I, L, N, P (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 4 | D, E, F, H, M... (A, B) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 5 | G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) PubChem (679) | |||
| 6 | J (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 7 | K (B) | 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide | non-polymer | 566.6 | 1 | Chemie (PKX) PubChem (172994044) | |||
| 8 | R, S (A, B) | water | water | 18.0 | 780 | 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 | 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 | 113995.6 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1651.9 | |
| All* | Total formula weight | 115647.5 |
