back calculated data agree with experimental NOESY spectrum
Representative
-
Components
#1: Protein/peptide
Cannabinoidreceptor1 / CB1 / CB-R / CANN6
Mass: 1030.262 Da / Num. of mol.: 1 / Fragment: IC3 of CB1(residues 338-346) / Mutation: L4A,A5L / Source method: obtained synthetically Details: The protein was synthesized using solid phase synthesis. The sequence of the protein is naturally found in Homo sapiens. References: UniProt: P21554
-
Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D NOESY
1
2
1
2D TOCSY
NMR details
Text: transferred NOEs, build up rates from 6 mixing times
-
Sample preparation
Details
Contents: ALKT 4.0 mM G(alpha)i 200 uM / Solvent system: acetate buffer, 10 mM
Sample conditions
Ionic strength: 10 mM acetate buffer / pH: 6.0 / Pressure: 1 atm / Temperature: 308 K
Crystal grow
*PLUS
Method: other / Details: NMR
-
NMR measurement
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelength
Relative weight: 1
NMR spectrometer
Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz
-
Processing
NMR software
Name
Version
Developer
Classification
Felix
msi95
hare
dataanalysis
DGII
homewritten
havel
refinement
IRMA
2
Boelens
iterativematrixrelaxation
Refinement
Method: metric matrix distance geometry to generate initial ensemble of structures; 20 lowest penalty structures used for ensemble-based IRMA refinement Software ordinal: 1
NMR ensemble
Conformer selection criteria: back calculated data agree with experimental NOESY spectrum Conformers calculated total number: 20 / Conformers submitted total number: 1
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