BMRB Entry 17542
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR17542
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Title: Structure of the first domain of human Smurf1 in complex with a doubly phosphorylated human Smad1 derived peptide. PubMed: 21685363
Deposition date: 2011-03-22 Original release date: 2011-06-23
Authors: Macias, Maria; Aragon, Eric; Goerner, Nina; Zaromytidou, Alexia-Ileana; Xi, Qiaoran; Escobedo, Albert; Massague, Joan
Citation: Aragon, Eric; Goerner, Nina; Zaromytidou, Alexia-Ileana; Xi, Qiaoran; Escobedo, Albert; Massague, Joan; Macias, Maria. "A Smad action turnover switch operated by WW domain readers of a phosphoserine code." Genes Dev. 25, 1275-1288 (2011).
Assembly members:
human Smurf1, polymer, 36 residues, 3878.262 Da.
doubly phosphorylated human Smad1 derived peptide, polymer, 10 residues, 1181.993 Da.
Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
human Smurf1: GAMELPEGYEQRTTVQGQVY
FLHTQTGVSTWHDPRI
doubly phosphorylated human Smad1 derived peptide: TSXDPGXPFQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 49 |
| 15N chemical shifts | 19 |
| 1H chemical shifts | 227 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | human Smurf1 | 1 |
| 2 | doubly phosphorylated human Smad1 derived peptide | 2 |
Entities:
Entity 1, human Smurf1 36 residues - 3878.262 Da.
| 1 | GLY | ALA | MET | GLU | LEU | PRO | GLU | GLY | TYR | GLU | ||||
| 2 | GLN | ARG | THR | THR | VAL | GLN | GLY | GLN | VAL | TYR | ||||
| 3 | PHE | LEU | HIS | THR | GLN | THR | GLY | VAL | SER | THR | ||||
| 4 | TRP | HIS | ASP | PRO | ARG | ILE |
Entity 2, doubly phosphorylated human Smad1 derived peptide 10 residues - 1181.993 Da.
| 1 | THR | SER | SEP | ASP | PRO | GLY | SEP | PRO | PHE | GLN |
Samples:
H: Smurf1 1 mM; Smad1 3 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM; H2O 90%; D2O 10%
15N: Smurf1, [U-100% 15N], 1 mM; Smad1 3 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM; H2O 90%; D2O 10%
15N13C: Smurf1, [U-100% 13C; U-100% 15N], 1 mM; Smad1 3 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.420 M; pH: 7; pressure: 1 atm; temperature: 285 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | H | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | H | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 15N13C | isotropic | sample_conditions_1 |
| 3D HNCACB | 15N13C | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | 15N | isotropic | sample_conditions_1 |
Software:
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
XEASY, Bartels et al. - chemical shift assignment
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker DRX 600 MHz
Related Database Links:
| BMRB | 17541 |
| PDB | |
| DBJ | BAB13451 BAB29770 BAE32623 BAG11347 |
| GB | AAC62434 AAF08298 AAH29097 AAH59201 AAI36805 |
| REF | NP_001001943 NP_001033716 NP_001103068 NP_001186776 NP_001244560 |
| SP | Q9CUN6 Q9HCE7 |
| TPG | DAA15146 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts