5TUQ
Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | HIV-1 REVERSE TRANSCRIPTASE | polymer | 557 | 64105.4 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) | Pr160Gag-Pol |
| 2 | B | HIV-1 REVERSE TRANSCRIPTASE | polymer | 429 | 50096.5 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) | Pr160Gag-Pol |
| 3 | A | 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione | non-polymer | 386.5 | 1 | Chemie (J63) | |||
| 4 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | water | water | 18.0 | 122 | 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 |
| Ser 280 | Cys 879 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 280 | Cys 879 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 114202.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 410.8 | |
| All* | Total formula weight | 114612.8 |
