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Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase

X-ray diffraction
2.385Å resolution
PDB entry 6ecl coloured by chain, front view.
PDB entry 6ecl coloured by chain, side view.
PDB entry 6ecl 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: 47163.59 Å2
Buried surface area: 5525.11 Å2
Dissociation area: 2,610.28 Å2
Dissociation energy (ΔGdiss): 21.22 kcal/mol
Dissociation entropy (TΔSdiss): 15.03 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-136840

Macromolecules

Reverse transcriptase/ribonuclease H
Chain: A
Length: 557 amino acids
Theoretical weight: 64.11 KDa
Source organism: Human immunodeficiency virus type 1 BH10
Expression system: Escherichia coli
UniProt:
  • Canonical: P03366 (Residues: 600-1154; Coverage: 38%)
Gene name: gag-pol
Pfam:
InterPro:
Reverse transcriptase/ribonuclease H in PDB entry 6ecl, assembly 1, front view.
Reverse transcriptase/ribonuclease H in PDB entry 6ecl, assembly 1, side view.
Reverse transcriptase/ribonuclease H in PDB entry 6ecl, assembly 1, top view.
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p51 RT
Chain: B
Length: 429 amino acids
Theoretical weight: 50.1 KDa
Source organism: Human immunodeficiency virus type 1 BH10
Expression system: Escherichia coli
UniProt:
  • Canonical: P03366 (Residues: 600-1027; Coverage: 30%)
Gene name: gag-pol
Pfam:
InterPro:
p51 RT in PDB entry 6ecl, assembly 1, front view.
p51 RT in PDB entry 6ecl, assembly 1, side view.
p51 RT in PDB entry 6ecl, assembly 1, top view.
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