BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 5381

Title: Structure of BPTI_A16V mutant   PubMed: 12206780

Authors: Cierpicki, T.; Otlewski, J.

Citation: Cierpicki, T.; Otlewski, J.. "NMR Structures of Two Variants of Bovine Pancreatic Trypsin Inhibitor (BPTI) reveal Unexpected Influence of Mutations on Protein Structure and Stability"  J. Mol. Biol. 321, 647-658 (2002).

Assembly members:
pancreatic trypsin inhibitor, polymer, 58 residues, Formula weight is not available

Natural source:   Common Name: Cow   Taxonomy ID: 9913   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bos taurus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
pancreatic trypsin inhibitor: RPDFCLEPPYTGPCRVRIIR YFYNAKAGLCQTFVYGGCRA KRNNFKSAEDCLRTCGGA

Data sets:
Data typeCount
1H chemical shifts404

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1pancreatic trypsin inhibitor1

Entities:

Entity 1, pancreatic trypsin inhibitor 58 residues - Formula weight is not available

1   ARGPROASPPHECYSLEUGLUPROPROTYR
2   THRGLYPROCYSARGVALARGILEILEARG
3   TYRPHETYRASNALALYSALAGLYLEUCYS
4   GLNTHRPHEVALTYRGLYGLYCYSARGALA
5   LYSARGASNASNPHELYSSERALAGLUASP
6   CYSLEUARGTHRCYSGLYGLYALA

Samples:

sample_1: pancreatic trypsin inhibitor 4 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 0 M; pH: 3.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D TOCSYnot availablenot availablenot available
2D NOESYnot availablenot availablenot available
DQF-COSYnot availablenot availablenot available

Software:

NMRPipe v1.8 - processing

SPARKY v3.95 - data analysis

DYANA v1.5 - structure solution

CNS v1.0 - refinement

NMR spectrometers:

  • Bruker DRX 500 MHz

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