› 5yw1

X-ray diffraction
2.6Å resolution

Crystal structure of full length NS3 protein (eD4NS2BNS3) in complex with Bovine Pancreatic Trypsin Inhibitor

Released:
DOI: 10.2210/pdb5yw1/pdb
PDB entry 5yw1 coloured by chain, front view.
PDB entry 5yw1 coloured by chain, side view.
PDB entry 5yw1 coloured by chain, top view.
Source organisms:
Entry authors: Phoo WW, El Sahili A

Function and Biology Details

Reactions catalysed: 
Selective hydrolysis of -Xaa-Xaa-|-Yaa- bonds in which each of the Xaa can be either Arg or Lys and Yaa can be either Ser or Ala.
NTP + H(2)O = NDP + phosphate
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-514684 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Peptidase S7 Chain: B
Molecule details ›
Chain: B
Length: 618 amino acids
Theoretical weight: 69.52 KDa
Source organism: dengue virus type 4
Expression system: Escherichia coli
UniProt:
  • Canonical: F8TEL4 (Residues: 1475-2092; Coverage: 18%)
Sequence domains:
FLAVIVIRUS_NS2B Chain: A
Molecule details ›
Chain: A
Length: 54 amino acids
Theoretical weight: 5.93 KDa
Source organism: dengue virus type 4
Expression system: Escherichia coli
UniProt:
  • Canonical: W0LLP9 (Residues: 1393-1439; Coverage: 2%)
Sequence domains: Flavivirus non-structural protein NS2B
Pancreatic trypsin inhibitor Chain: I
Molecule details ›
Chain: I
Length: 55 amino acids
Theoretical weight: 6.37 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00974 (Residues: 36-90; Coverage: 70%)
Sequence domains: Kunitz/Bovine pancreatic trypsin inhibitor domain
Structure domains: Pancreatic trypsin inhibitor Kunitz domain

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 53.018Å b: 87.493Å c: 86.455Å
α: 90° β: 98.25° γ: 90°
R-values:
R R work R free
0.222 0.22 0.24
Expression system: Escherichia coli

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