BMRB Entry 52774
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52774
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Wu, Feng-Jie; Rieder, Pascal; Abiko, Layara; Grahl, Anne; Haussinger, Daniel; Grzesiek, Stephan. "Activation dynamics traced through a G protein coupled receptor by 81 1H-15N NMR probes" Science ., .-..
Assembly members:
entity_1, polymer, 315 residues, Formula weight is not available
entity_2, polymer, 127 residues, Formula weight is not available
entity_CVD, non-polymer, 406.474 Da.
Natural source: Common Name: turkey Taxonomy ID: 9103 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Maleagris gallopavo
Experimental source: Production method: recombinant technology Host organism: Spodoptera frugiperda Vector: pFBI
Entity Sequences (FASTA):
entity_1: MGAELLSQQWEAGMSLLMAL
VVLLIVAGNVLVIAAIGSTQ
RLQTLTNLFITSLACADLVV
GLLVVPFGATLVVRGTWLWG
SFLCELWTSLDVLCVTASVE
TLCVIAIDRYLAITSPFRYQ
SLMTRARAKVIICTVWAISA
LVSFLPIMMHWWRDEDPQAL
KCYQDPGCCEFVTNRAYAIA
SSIISFYIPLLIMIFVYLRV
YREAKEQIRKIDRASKRKTS
RVMLMREHKALKTLGIIMGV
FTLCWLPFFLVNIVNVFNRD
LVPKWLFVAFNWLGYANSAM
NPIIYCRSPDFRKAFKRLLA
FPRKADRRLHHHHHH
entity_2: MAQVQLQESGGGLVQAGGSL
RLSCAASGSIFSLNDMGWYR
QAPGKLRELVAAITSGGSTK
YADSVKGRFTISRDNAKNTV
YLQMNSLKAEDTAVYYCNAK
VAGTFSIYDYWGQGTQVTVS
SHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 39 |
| 1H chemical shifts | 39 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | YY-b1AR | 1 |
| 2 | Nanobody60 | 2 |
| 3 | carvedilol | 3 |
Entities:
Entity 1, YY-b1AR 315 residues - Formula weight is not available
| 1 | MET | GLY | ALA | GLU | LEU | LEU | SER | GLN | GLN | TRP | ||||
| 2 | GLU | ALA | GLY | MET | SER | LEU | LEU | MET | ALA | LEU | ||||
| 3 | VAL | VAL | LEU | LEU | ILE | VAL | ALA | GLY | ASN | VAL | ||||
| 4 | LEU | VAL | ILE | ALA | ALA | ILE | GLY | SER | THR | GLN | ||||
| 5 | ARG | LEU | GLN | THR | LEU | THR | ASN | LEU | PHE | ILE | ||||
| 6 | THR | SER | LEU | ALA | CYS | ALA | ASP | LEU | VAL | VAL | ||||
| 7 | GLY | LEU | LEU | VAL | VAL | PRO | PHE | GLY | ALA | THR | ||||
| 8 | LEU | VAL | VAL | ARG | GLY | THR | TRP | LEU | TRP | GLY | ||||
| 9 | SER | PHE | LEU | CYS | GLU | LEU | TRP | THR | SER | LEU | ||||
| 10 | ASP | VAL | LEU | CYS | VAL | THR | ALA | SER | VAL | GLU | ||||
| 11 | THR | LEU | CYS | VAL | ILE | ALA | ILE | ASP | ARG | TYR | ||||
| 12 | LEU | ALA | ILE | THR | SER | PRO | PHE | ARG | TYR | GLN | ||||
| 13 | SER | LEU | MET | THR | ARG | ALA | ARG | ALA | LYS | VAL | ||||
| 14 | ILE | ILE | CYS | THR | VAL | TRP | ALA | ILE | SER | ALA | ||||
| 15 | LEU | VAL | SER | PHE | LEU | PRO | ILE | MET | MET | HIS | ||||
| 16 | TRP | TRP | ARG | ASP | GLU | ASP | PRO | GLN | ALA | LEU | ||||
| 17 | LYS | CYS | TYR | GLN | ASP | PRO | GLY | CYS | CYS | GLU | ||||
| 18 | PHE | VAL | THR | ASN | ARG | ALA | TYR | ALA | ILE | ALA | ||||
| 19 | SER | SER | ILE | ILE | SER | PHE | TYR | ILE | PRO | LEU | ||||
| 20 | LEU | ILE | MET | ILE | PHE | VAL | TYR | LEU | ARG | VAL | ||||
| 21 | TYR | ARG | GLU | ALA | LYS | GLU | GLN | ILE | ARG | LYS | ||||
| 22 | ILE | ASP | ARG | ALA | SER | LYS | ARG | LYS | THR | SER | ||||
| 23 | ARG | VAL | MET | LEU | MET | ARG | GLU | HIS | LYS | ALA | ||||
| 24 | LEU | LYS | THR | LEU | GLY | ILE | ILE | MET | GLY | VAL | ||||
| 25 | PHE | THR | LEU | CYS | TRP | LEU | PRO | PHE | PHE | LEU | ||||
| 26 | VAL | ASN | ILE | VAL | ASN | VAL | PHE | ASN | ARG | ASP | ||||
| 27 | LEU | VAL | PRO | LYS | TRP | LEU | PHE | VAL | ALA | PHE | ||||
| 28 | ASN | TRP | LEU | GLY | TYR | ALA | ASN | SER | ALA | MET | ||||
| 29 | ASN | PRO | ILE | ILE | TYR | CYS | ARG | SER | PRO | ASP | ||||
| 30 | PHE | ARG | LYS | ALA | PHE | LYS | ARG | LEU | LEU | ALA | ||||
| 31 | PHE | PRO | ARG | LYS | ALA | ASP | ARG | ARG | LEU | HIS | ||||
| 32 | HIS | HIS | HIS | HIS | HIS |
Entity 2, Nanobody60 127 residues - Formula weight is not available
| 1 | MET | ALA | GLN | VAL | GLN | LEU | GLN | GLU | SER | GLY | ||||
| 2 | GLY | GLY | LEU | VAL | GLN | ALA | GLY | GLY | SER | LEU | ||||
| 3 | ARG | LEU | SER | CYS | ALA | ALA | SER | GLY | SER | ILE | ||||
| 4 | PHE | SER | LEU | ASN | ASP | MET | GLY | TRP | TYR | ARG | ||||
| 5 | GLN | ALA | PRO | GLY | LYS | LEU | ARG | GLU | LEU | VAL | ||||
| 6 | ALA | ALA | ILE | THR | SER | GLY | GLY | SER | THR | LYS | ||||
| 7 | TYR | ALA | ASP | SER | VAL | LYS | GLY | ARG | PHE | THR | ||||
| 8 | ILE | SER | ARG | ASP | ASN | ALA | LYS | ASN | THR | VAL | ||||
| 9 | TYR | LEU | GLN | MET | ASN | SER | LEU | LYS | ALA | GLU | ||||
| 10 | ASP | THR | ALA | VAL | TYR | TYR | CYS | ASN | ALA | LYS | ||||
| 11 | VAL | ALA | GLY | THR | PHE | SER | ILE | TYR | ASP | TYR | ||||
| 12 | TRP | GLY | GLN | GLY | THR | GLN | VAL | THR | VAL | SER | ||||
| 13 | SER | HIS | HIS | HIS | HIS | HIS | HIS |
Entity 3, carvedilol - C24 H26 N2 O4 - 406.474 Da.
| 1 | CVD |
Samples:
sample_1: YY-b1AR, [U-15N]-Trp, 100 uM; carvedilol 0.2 mM; TRIS 20 mM; sodium chloride 100 mM; DM > 0.1%; Nanobody60 120 uM
sample_2: YY-b1AR, [U-15N]-Ile, 100 uM; carvedilol 0.2 mM; TRIS 20 mM; sodium chloride 100 mM; DM > 0.1%; Nanobody60 120 uM
sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 304 K
sample_conditions_2: pH: 7.5; pressure: 1 atm; temperature: 304 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N TROSY | sample_2 | isotropic | sample_conditions_2 |
Software:
TOPSPIN v3.6.2 - collection
NMRPipe - processing
NMRFAM-SPARKY - data analysis
NMR spectrometers:
- Bruker AVANCE III 900 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks