#1: Journal: Angew. Chem. Int. Ed. Engl. / Year: 2008 Title: The structure of the neuropeptide bradykinin bound to the human G-protein coupled receptor bradykinin B2 as determined by solid-state NMR spectroscopy. Authors: Lopez, J.J. / Shukla, A.K. / Reinhart, C. / Schwalbe, H. / Michel, H. / Glaubitz, C.
Mass: 1062.224 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: This sequence occurs naturally in humans / Source: (synth.) Homo sapiens (human) / References: UniProt: P01042
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Experimental details
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Experiment
Experiment
Method: SOLID-STATE NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Sample state
Spectrometer-ID
Type
1
1
1
isotropic
1
2D 13C-13C DQ-SQ
1
2
2
isotropic
1
2D 13C-13C DQ-SQ
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Sample preparation
Details
Type
Solution-ID
Contents
Details
Label
Solvent system
solid
1
0.36 ug/uL [U-13C, 15N]-F8R9 Bradykinin (BK), 50 mM not labeled HEPES, 100 mM not labeled NaCl, 2 mM not labeled EDTA, 4 % w/v not labeled DDM, 100% H2O
FrozensolutionofBKwithDDMdetergent
BK2
100% H2O
solid
2
0.36 ug/uL [U-13C, 15N]-P2P3G4F5S6P7F8 Bradykinin (BK), 50 mM not labeled HEPES, 100 mM not labeled NaCl, 2 mM not labeled EDTA, 4 % w/v not labeled DDM, 100% H2O
BK2
100% H2O
Sample
Conc. (mg/ml)
Component
Isotopic labeling
Solution-ID
0.36ug/uL
Bradykinin (BK)
[U-13C, 15N]-F8R9
1
50mM
HEPES
notlabeled
1
100mM
NaCl
notlabeled
1
2mM
EDTA
notlabeled
1
4 % w/v
DDM
notlabeled
1
0.36ug/uL
Bradykinin (BK)
[U-13C, 15N]-P2P3G4F5S6P7F8
2
50mM
HEPES
notlabeled
2
100mM
NaCl
notlabeled
2
2mM
EDTA
notlabeled
2
4 % w/v
DDM
notlabeled
2
Sample conditions
Ionic strength: 125 mM / Label: LT / pH: 7.4 / Pressure: 1 atm / Temperature: 200 K
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NMR measurement
NMR spectrometer
Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz
Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 500 / Conformers submitted total number: 10
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