BMRB Entry 34207

Name: Backbone structure of free bradykinin (BK) in DDM/CHS detergent micelle determined by MAS SSNMR
Published: 2018-01-05

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PDB ID: 6f3w
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34207
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone structure of free bradykinin (BK) in DDM/CHS detergent micelle determined by MAS SSNMR

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:

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).
PubMed: 29334381

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: RPPGFSPFR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	22

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 9 residues - 1062.224 Da.

1

ARG

PRO

GLY

PHE

SER

PRO

PHE

ARG

Samples:

sample_1: Bradykinin (BK), [U-13C; 15N]-F8R9, 0.36 ug/uL; 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; 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

Experiments:

Name	Sample	Sample state	Sample conditions
2D 13C-13C DQ-SQ	sample_1	isotropic	sample_conditions_1
2D 13C-13C DQ-SQ	sample_2	isotropic	sample_conditions_1

Software:

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