3QLH
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | reverse transcriptase/ribonuclease H | polymer | 555 | 63801.0 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB | Human immunodeficiency virus type 1 (HIV-1) | p66 RT |
2 | B | reverse transcriptase/ribonuclease H | polymer | 423 | 49531.9 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB | Human immunodeficiency virus type 1 (HIV-1) | p51 RT |
3 | A | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one | non-polymer | 246.3 | 1 | Chemie (MNK) | Manicol | ||
4 | A | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile | non-polymer | 366.4 | 1 | Chemie (T27) | |||
5 | A | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
6 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | TMC278, Rilpilvirine | ||
7 | B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
8 | water | water | 18.0 | 103 | Chemie (HOH) |
Sequence modifications
A: 1 - 554 (UniProt: P03366)
B: 6 - 428 (UniProt: P03366)
PDB | External Database | Details |
---|---|---|
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 |
---|---|---|
Ser 280 | Cys 879 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 113332.9 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 862.8 | |
All* | Total formula weight | 114195.7 |