BMRB Entry 17539
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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/BMR17539
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Title: Structure of first WW domain of human YAP in complex with a human Smad1 doubly-phosphorylated 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:
first WW domain of human YAP, polymer, 40 residues, 4151.635 Da.
Smad1 doubly-phosphorilated derived peptide, polymer, 9 residues, 1136.976 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):
first WW domain of human YAP: GAMEDVPLPAGWEMAKTSSG
QRYFLNHIDQTTTWQDPRKA
Smad1 doubly-phosphorilated derived peptide: SXYPHXPTS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 229 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | first WW domain of human YAP | 1 |
| 2 | Smad1 doubly-phosphorilated derived peptide | 2 |
Entities:
Entity 1, first WW domain of human YAP 40 residues - 4151.635 Da.
| 1 | GLY | ALA | MET | GLU | ASP | VAL | PRO | LEU | PRO | ALA | |
| 2 | GLY | TRP | GLU | MET | ALA | LYS | THR | SER | SER | GLY | |
| 3 | GLN | ARG | TYR | PHE | LEU | ASN | HIS | ILE | ASP | GLN | |
| 4 | THR | THR | THR | TRP | GLN | ASP | PRO | ARG | LYS | ALA |
Entity 2, Smad1 doubly-phosphorilated derived peptide 9 residues - 1136.976 Da.
| 1 | SER | TPO | TYR | PRO | HIS | SEP | PRO | THR | SER |
Samples:
H: NEDD4LWW3 1 mM; SMAD3 3 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM; H2O 90%; D2O 10%
15N: NEDD4LWW3, [U-100% 15N], 1 mM; SMAD3 3 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM; H2O 90%; D2O 10%
15N13C: NEDD4LWW3, [U-100% 13C; U-100% 15N], 1 mM; SMAD3 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 | 17540 18499 |
| PDB | |
| DBJ | BAJ41471 |
| EMBL | CAA56672 |
| GB | EAW67012 EAW67014 |
| REF | NP_001269026 NP_001269027 NP_001269028 NP_006097 XP_002799821 |