Getun · Journal of molecular biology 2008 · In vitro X-ray crystallography study · n=?

Partially folded bovine pancreatic trypsin inhibitor analogues attain fully native structures when co-crystallized with S195A rat trypsin.

Cited 8 times in the scientific literature.

Level 5 - mechanism / opinion, no new human data

In vitro structural biology bench study without human data

PubMed 18054043 · doi:10.1016/j.jmb.2007.10.084 · record verified 2026-08-30

What was done

Crystal structures were determined at 1.7 Å resolution for complexes between an inactive rat trypsin mutant (S195A) and two chemically synthesized, partially folded bovine pancreatic trypsin inhibitor (BPTI) analogues: [14-38](Abu) (retaining only the Cys14–Cys38 disulfide bond with four cysteines replaced by alpha-amino-n-butyric acid) and K26P,A27D[14-38](Abu) (incorporating two additional beta-turn substitutions). The complex of S195A trypsin with wild-type BPTI was solved as a control.

What was found

At 1.7 Å resolution, the tertiary folds of both partially folded BPTI analogues bound to S195A trypsin in the crystal lattice were essentially superimposable on wild-type BPTI, despite marked differences in their degree of folding previously detected in solution by biophysical methods. Specific coordinate root-mean-square deviations and binding parameters were not reported in the abstract.

Why it matters

These results demonstrate that interaction with a physiological binding partner can template and stabilize a fully native-like tertiary fold in protein variants that are largely unstructured in solution.

Limits

The study is restricted to in vitro crystalline states of an engineered mutant enzyme complex, which may not represent conformational dynamics or intermediate states in solution. Numerical structural alignment metrics and solution thermodynamic data were omitted from the abstract.

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