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Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine

X-ray diffraction
2.5Å resolution
PDB entry 2hnd coloured by chain, front view.
PDB entry 2hnd coloured by chain, side view.
PDB entry 2hnd coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
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: 44148.21 Å2
Buried surface area: 6263.83 Å2
Dissociation area: 2,484.21 Å2
Dissociation energy (ΔGdiss): 22.3 kcal/mol
Dissociation entropy (TΔSdiss): 14.91 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-136858

Macromolecules

Reverse transcriptase/ribonuclease H
Chain: A
Length: 534 amino acids
Theoretical weight: 61.92 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: P04585 (Residues: 591-1124; Coverage: 37%)
Gene name: gag-pol
Pfam:
InterPro:
CATH:
Reverse transcriptase/ribonuclease H in PDB entry 2hnd, assembly 1, front view.
Reverse transcriptase/ribonuclease H in PDB entry 2hnd, assembly 1, side view.
Reverse transcriptase/ribonuclease H in PDB entry 2hnd, assembly 1, top view.
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p51 RT
Chain: B
Length: 422 amino acids
Theoretical weight: 49.45 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: P03367 (Residues: 606-1027; Coverage: 29%)
Gene name: gag-pol
Pfam:
InterPro:
CATH:
p51 RT in PDB entry 2hnd, assembly 1, front view.
p51 RT in PDB entry 2hnd, assembly 1, side view.
p51 RT in PDB entry 2hnd, assembly 1, top view.
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