6AOC
Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to 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, C | Reverse transcriptase/ribonuclease H | polymer | 557 | 64105.4 | 2 | 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) | |
2 | B, D | p51 RT | polymer | 429 | 50096.5 | 2 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) | Exoribonuclease H, p66 RT |
3 | A, C | MANGANESE (II) ION | non-polymer | 54.9 | 4 | Chemie (MN) | |||
4 | A, C | 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione | non-polymer | 274.3 | 2 | Chemie (ZW2) | |||
5 | A, D, B | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 7 | Chemie (PGE) | |||
6 | B, C, D, A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 68 | Chemie (EDO) | |||
7 | water | water | 18.0 | 1147 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 555 (UniProt: P03366)
B, D: 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 | 4 |
Total formula weight | 228404.0 | |
Non-Polymers* | Number of molecules | 81 |
Total formula weight | 6040.2 | |
All* | Total formula weight | 234444.1 |