BMRB Entry 18498
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18498
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Title: YAP WW2 in complex with a Smad7 derived peptide. PubMed: 22921829
Deposition date: 2012-06-04 Original release date: 2012-11-19
Authors: Macias, Maria; Aragon, Eric; Goerner, Nina; Xi, Qiaoran; Lopes, Tiago; Gao, Sheng; Massague, Joan
Citation: Aragon, Eric; Goerner, Nina; Xi, Qiaoran; Gomes, Tiago; Gao, Sheng; Massague, Joan; Macias, Maria. "Structural Basis for the Versatile Interactions of Smad7 with Regulator WW Domains in TGF-beta Pathways" Structure 20, 1726-1736 (2012).
Assembly members:
YAPWW2, polymer, 36 residues, 4191.631 Da.
SMAD7, polymer, 12 residues, 1407.580 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):
YAPWW2: GPLPDGWEQAMTQDGEIYYI
NHKNKTTSWLDPRLDP
SMAD7: GSPPPPYSRYPMD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 279 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | YAP WW2 | 1 |
| 2 | Smad7 derived peptide | 2 |
Entities:
Entity 1, YAP WW2 36 residues - 4191.631 Da.
| 1 | GLY | PRO | LEU | PRO | ASP | GLY | TRP | GLU | GLN | ALA | ||||
| 2 | MET | THR | GLN | ASP | GLY | GLU | ILE | TYR | TYR | ILE | ||||
| 3 | ASN | HIS | LYS | ASN | LYS | THR | THR | SER | TRP | LEU | ||||
| 4 | ASP | PRO | ARG | LEU | ASP | PRO |
Entity 2, Smad7 derived peptide 12 residues - 1407.580 Da.
| 1 | GLY | SER | PRO | PRO | PRO | PRO | TYR | SER | ARG | TYR | ||||
| 2 | PRO | MET | ASP |
Samples:
Homonuclear: YAPWW2 1 mM; SMAD7 2 mM; TRIS, [U-100% 2H], 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%
15N13C: YAPWW2, [U-100% 13C; U-100% 15N], 1 mM; SMAD7 3 mM; TRIS, [U-100% 2H], 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 285 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 15N13C | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | Homonuclear | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | Homonuclear | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 15N13C | isotropic | sample_conditions_1 |
| 3D HNCACB | 15N13C | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 17538 |
| PDB | |
| DBJ | BAG62143 BAH14487 |
| EMBL | CCI79621 CCI79622 |
| GB | EAW67013 ELW64947 EMP37969 ETE73276 KFP99983 |
| REF | NP_001181974 XP_002822438 XP_003253086 XP_004052073 XP_004283405 |