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Aprotinin bound to Dengue virus protease

X-ray diffraction
1.8Å resolution
PDB entry 3u1j coloured by chain, front view.
PDB entry 3u1j coloured by chain, side view.
PDB entry 3u1j coloured by chain, top view.
Source organisms:
Assembly composition:
hetero trimer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Pancreatic trypsin inhibitor and Serine protease subunit NS2B
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Multimeric state: hetero trimer
Accessible surface area: 12420.93 Å2
Buried surface area: 3927.53 Å2
Dissociation area: 685.19 Å2
Dissociation energy (ΔGdiss): 5.91 kcal/mol
Dissociation entropy (TΔSdiss): 10.32 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133759

Macromolecules

Serine protease subunit NS2B
Chain: A
Length: 51 amino acids
Theoretical weight: 5.59 KDa
Source organism: Dengue virus 3 Singapore/8120/1995
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5UB51 (Residues: 1393-1438; Coverage: 1%)
Pfam: Flavivirus non-structural protein NS2B
InterPro: Non-structural protein NS2B, flavivirus
Serine protease subunit NS2B in PDB entry 3u1j, assembly 1, front view.
Serine protease subunit NS2B in PDB entry 3u1j, assembly 1, side view.
Serine protease subunit NS2B in PDB entry 3u1j, assembly 1, top view.
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Serine protease NS3
Chain: B
Length: 191 amino acids
Theoretical weight: 20.15 KDa
Source organism: Dengue virus 3 Singapore/8120/1995
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5UB51 (Residues: 1474-1655; Coverage: 5%)
Pfam: Peptidase S7, Flavivirus NS3 serine protease
InterPro:
CATH:
Serine protease NS3 in PDB entry 3u1j, assembly 1, front view.
Serine protease NS3 in PDB entry 3u1j, assembly 1, side view.
Serine protease NS3 in PDB entry 3u1j, assembly 1, top view.
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Pancreatic trypsin inhibitor
Chain: E
Length: 58 amino acids
Theoretical weight: 6.53 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00974 (Residues: 36-93; Coverage: 73%)
Pfam: Kunitz/Bovine pancreatic trypsin inhibitor domain
InterPro:
CATH: Pancreatic trypsin inhibitor Kunitz domain
Pancreatic trypsin inhibitor in PDB entry 3u1j, assembly 1, front view.
Pancreatic trypsin inhibitor in PDB entry 3u1j, assembly 1, side view.
Pancreatic trypsin inhibitor in PDB entry 3u1j, assembly 1, top view.
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