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 20081

Title: solution structures of bradykinin - penta-O-galloyl-D-glucopyranose complexe   PubMed: 12049789

Authors: Monti, Jean-Pierre; Verge, Sarah

Citation: Verge, Sarah; Richard, Tristan; Moreau, Serge; Nurich, Alain; Merillon, Jean-Michel; Vercauteren, Joseph; Monti, Jean-Pierre. "First observation of solution structures of bradykinin-penta-O-galloyl-D-glucopyranose complexes as determined by NMR and simulated annealing."  Biochim. Biophys. Acta 1571, 89-101 (2002).

Assembly members:
bradykinin, polymer, 9 residues, Formula weight is not available
BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE, non-polymer, 940.677 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo Sapiens

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
bradykinin: RPPGFSPFR

Data sets:
Data typeCount
1H chemical shifts57

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1bradykinin1
2penta-O-galloyl-D-glucopyranose2

Entities:

Entity 1, bradykinin 9 residues - Formula weight is not available

1   ARGPROPROGLYPHESERPROPHEARG

Entity 2, penta-O-galloyl-D-glucopyranose - C41 H32 O26 - 940.677 Da.

1   GGP

Samples:

sample_1: bradykinin 20 mM; penta-O-galloyl-D-glucopyranose 20 mM; H2O 90%; DMSO 10%

sample_conditions_1: pH: 6.4; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

InsightII, Accelrys Software Inc. - geometry optimization

NMR spectrometers:

  • Bruker Avance 500 MHz

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