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Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor

X-ray diffraction
2.841Å resolution
PDB entry 5c25 coloured by chain, front view.
PDB entry 5c25 coloured by chain, side view.
PDB entry 5c25 coloured by chain, top view.
Source organism: Human immunodeficiency virus type 1 BH10
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Protease
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Multimeric state: hetero dimer
Accessible surface area: 46640.45 Å2
Buried surface area: 5601.01 Å2
Dissociation area: 2,551.57 Å2
Dissociation energy (ΔGdiss): 22.46 kcal/mol
Dissociation entropy (TΔSdiss): 15.01 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-136840

Macromolecules

Reverse transcriptase/ribonuclease H
Chain: A
Length: 557 amino acids
Theoretical weight: 63.99 KDa
Source organism: Human immunodeficiency virus type 1 BH10
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03366 (Residues: 600-1154; Coverage: 38%)
Gene name: gag-pol
Pfam:
InterPro:
CATH:
Reverse transcriptase/ribonuclease H in PDB entry 5c25, assembly 1, front view.
Reverse transcriptase/ribonuclease H in PDB entry 5c25, assembly 1, side view.
Reverse transcriptase/ribonuclease H in PDB entry 5c25, assembly 1, top view.
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p51 RT
Chain: B
Length: 428 amino acids
Theoretical weight: 50.04 KDa
Source organism: Human immunodeficiency virus type 1 BH10
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03366 (Residues: 600-1027; Coverage: 30%)
Gene name: gag-pol
Pfam:
InterPro:
CATH:
p51 RT in PDB entry 5c25, assembly 1, front view.
p51 RT in PDB entry 5c25, assembly 1, side view.
p51 RT in PDB entry 5c25, assembly 1, top view.
Molecule details ›

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