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 34206

Title: Backbone structure of bradykinin (BK) peptide bound to human Bradykinin 2 Receptor (B2R) determined by MAS SSNMR   PubMed: 29334381

Deposition date: 2017-11-29 Original release date: 2018-01-05

Authors: Mao, J.; Lopez, J.; Shukla, A.; Kuenze, G.; Meiler, J.; Schwalbe, H.; Michel, H.; Glaubitz, C.

Citation: Joedicke, Lisa; Mao, Jiafei; Kuenze, Georg; Reinhart, Christoph; Kalavacherla, Tejaswi; Jonker, Hendrik; Richter, Christian; Schwalbe, Harald; Meiler, Jens; Preu, Julia; Michel, Hartmut; Glaubitz, Clemens. "The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors."  Nat. Chem. Biol. 14, 284-290 (2018).

Assembly members:
entity_1, polymer, 9 residues, 1062.224 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: RPPGFSPFR

Data sets:
Data typeCount
13C chemical shifts22

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID


Entity 1, entity_1 9 residues - 1062.224 Da.



sample_1: Bradykinin (BK), [U-13C; 15N]-F8R9, 0.36 ug/uL; hB2R 21.4 mg/mL; HEPES 50 mM; NaCl 100 mM; EDTA 2 mM; DDM 4 % w/v

sample_2: Bradykinin (BK), [U-13C, 15N]-P2P3G4F5S6P7F8, 0.36 ug/uL; hB2R 21.4 mg/mL; HEPES 50 mM; NaCl 100 mM; EDTA 2 mM; DDM 4 % w/v

sample_conditions_1: ionic strength: 125 mM; pH: 7.4; pressure: 1 atm; temperature: 200 K


NameSampleSample stateSample conditions
2D 13C-13C DQ-SQsample_1isotropicsample_conditions_1
2D 13C-13C DQ-SQsample_2isotropicsample_conditions_1


CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

TOPSPIN, Bruker Biospin - chemical shift assignment, collection, processing

TALOS+, Shen, Delaglio, Cornilescu, Bax - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz