› 2esu

X-ray diffraction
1.94Å resolution

Crystal structure of Asn to Gln mutant of Winged Bean Chymotrypsin Inhibitor protein

Released:
DOI: 10.2210/pdb2esu/pdb
PDB entry 2esu coloured by chain, front view.
PDB entry 2esu coloured by chain, side view.
PDB entry 2esu coloured by chain, top view.
Source organism: Psophocarpus tetragonolobus
Primary publication:
Spacer Asn determines the fate of Kunitz (STI) inhibitors, as revealed by structural and biochemical studies on WCI mutants.
Dasgupta J, Khamrui S, Dattagupta JK, Sen U
Biochemistry 45 6783-92 (2006)
PMID: 16734415

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-145463 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chymotrypsin inhibitor 3 Chain: A
Molecule details ›
Chain: A
Length: 186 amino acids
Theoretical weight: 20.69 KDa
Source organism: Psophocarpus tetragonolobus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P10822 (Residues: 25-207; Coverage: 100%)
Sequence domains: Trypsin and protease inhibitor
Structure domains: Trefoil (Acidic Fibroblast Growth Factor, subunit A)

Ligands and Environments

2 bound ligands:
Ligand NI 1 x NI
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P6122
Unit cell:
a: 60.9Å b: 60.9Å c: 213.21Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.219 0.219 0.238
Expression system: Escherichia coli BL21(DE3)

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Citations

4 citation in other articles

Structural basis for dual inhibitory role of tamarind Kunitz inhibitor (TKI) against factor Xa and trypsin.
Patil et al. (2012)
3 more