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 17779

Title: NMR structure of the intermediate IIIb of the TdPI-short   PubMed: 22033478

Deposition date: 2011-07-14 Original release date: 2011-12-02

Authors: Pantoja, David

Citation: Bronsoms, Silvia; Pantoja-Uceda, David; Gabrijelcic-Geiger, Dusica; Sanglas, Laura; Aviles, Francesc; Santoro, Jorge; Sommerhoff, Christian; Arolas, Joan. "Oxidative folding and structural analyses of a Kunitz-related inhibitor and its disulfide intermediates: functional implications."  J. Mol. Biol. 414, 427-441 (2011).

Assembly members:
IIIb, polymer, 57 residues, Formula weight is not available

Natural source:   Common Name: Rhipicephalus appendiculatus   Taxonomy ID: 34631   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rhipicephalus appendiculatus

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

Entity Sequences (FASTA):
IIIb: GDKEECTVPIGWSEPVKGLC KARFTRYYCMGNCCKVYEGC YTGGYSRMGECARNCPG

Data sets:
Data typeCount
1H chemical shifts355

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1IIIb1

Entities:

Entity 1, IIIb 57 residues - Formula weight is not available

1   GLYASPLYSGLUGLUCYSTHRVALPROILE
2   GLYTRPSERGLUPROVALLYSGLYLEUCYS
3   LYSALAARGPHETHRARGTYRTYRCYSMET
4   GLYASNCYSCYSLYSVALTYRGLUGLYCYS
5   TYRTHRGLYGLYTYRSERARGMETGLYGLU
6   CYSALAARGASNCYSPROGLY

Samples:

sample_1: IIIb 1.0 mM; TFA 0.1%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: . M; pH: 2.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

NMRView v5.0.20, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

BMRB 17763
PDB
GB AAW32666