6C0P
Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a
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 | 63989.2 | 1 | UniProt (P03366) | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) | Pr160Gag-Pol |
| 2 | B (B) | Reverse transcriptase p51 subunit | polymer | 428 | 50039.6 | 1 | UniProt (P03366) | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) | Pr160Gag-Pol |
| 3 | C (A) | 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide | non-polymer | 574.7 | 1 | Chemie (K5C) | |||
| 4 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | BA, CA, DA, E, F... (B, A) | SULFATE ION | non-polymer | 96.1 | 9 | Chemie (SO4) | |||
| 6 | EA, FA, GA, HA, IA... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 27 | Chemie (EDO) | |||
| 7 | AA (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 8 | PA, QA (A, B) | water | water | 18.0 | 633 | 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 |
| Ala 172 | Lys 771 | engineered mutation |
| Ala 173 | Lys 772 | engineered mutation |
| Ser 280 | Cys 879 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Lys 138 | Glu 737 | engineered mutation |
| Ser 280 | Cys 879 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 114028.8 | |
| Non-Polymers* | Number of molecules | 39 |
| Total formula weight | 3217.6 | |
| All* | Total formula weight | 117246.4 |
