› 3ci7

X-ray diffraction
1.4Å resolution

Crystal structure of a simplified BPTI containing 20 alanines

Released:
DOI: 10.2210/pdb3ci7/pdb
PDB entry 3ci7 coloured by chain, front view.
PDB entry 3ci7 coloured by chain, side view.
PDB entry 3ci7 coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Crystal structure of an extensively simplified variant of bovine pancreatic trypsin inhibitor in which over one-third of the residues are alanines.
Islam MM, Sohya S, Noguchi K, Yohda M, Kuroda Y
Proc Natl Acad Sci U S A 105 15334-9 (2008)
PMID: 18829434

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163462 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
bovine pancreatic trypsin inhibitor Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 58 amino acids
Theoretical weight: 5.96 KDa
Source organism: Synthetic construct
Expression system: Not provided
Structure domains: Pancreatic trypsin inhibitor Kunitz domain

Ligands and Environments

1 bound ligand:
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: P212121
Unit cell:
a: 49.508Å b: 57.222Å c: 71.849Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 not available 0.205
Expression system: Not provided

Quick links

Citations

11 citation in other articles

Funneling and frustration in the energy landscapes of some designed and simplified proteins.
Truong et al. (2013)
10 more

3 mentions without citation

Crystal structure of an extensively simplified variant of bovine pancreatic trypsin inhibitor in which over one-third of the residues are alanines.
Islam et al. (2008)
2 more