4IFV
Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Exoribonuclease H, p66 RT | polymer | 557 | 63989.2 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB | Human immunodeficiency virus type 1 (HIV-1) | Reverse transcriptase/ribonuclease H |
2 | B | Gag-Pol polyprotein | polymer | 429 | 50096.5 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB | Human immunodeficiency virus type 1 (HIV-1) | Pr160Gag-Pol, Matrix protein p17, MA, Capsid protein p24, CA, Spacer peptide p2, Nucleocapsid protein p7, NC, Transframe peptide, TF, p6-pol, p6*, Protease, PR, Retropepsin, Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT, p51 RT, p15, Integrase, IN |
3 | A | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile | non-polymer | 366.4 | 1 | Chemie (T27) | |||
4 | A, B | [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol | non-polymer | 206.2 | 2 | Chemie (FMQ) | |||
5 | A, B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 11 | Chemie (DMS) | |||
6 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
7 | water | water | 18.0 | 616 | Chemie (HOH) |
Sequence modifications
A: 1 - 555 (UniProt: P03366)
B: 1 - 428 (UniProt: P03366)
PDB | External Database | Details |
---|---|---|
Met -1 | - | expression tag |
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 |
---|---|---|
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 | 114085.8 | |
Non-Polymers* | Number of molecules | 15 |
Total formula weight | 1662.6 | |
All* | Total formula weight | 115748.4 |