BMRB Entry 34432
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34432
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Title: Protein allostery of the WW domain at atomic resolution: apo structure PubMed: 32797659
Deposition date: 2019-09-18 Original release date: 2020-09-25
Authors: Strotz, D.; Orts, J.; Friedmann, M.; Guntert, P.; Vogeli, B.; Riek, R.
Citation: Strotz, Dean; Orts, Julilen; Kadavath, Harindranath; Friedmann, Michael; Ghosh, Dhiman; Olsson, Simon; Chi, Celestine; Pokharna, Aditya; Guntert, Peter; Vogeli, Beat; Riek, Roland. "Protein allostery of the WW domain at atomic resolution" Angew. Chem. Int. Ed. Engl. ., .-. (2020).
Assembly members:
entity_1, polymer, 35 residues, 4105.579 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 BL21(DE3)
Entity Sequences (FASTA):
entity_1: SKLPPGWEKRMSRNSGRVYY
FNHITNASQFERPSG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 109 |
| 15N chemical shifts | 35 |
| 1H chemical shifts | 230 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 35 residues - 4105.579 Da.
| 1 | SER | LYS | LEU | PRO | PRO | GLY | TRP | GLU | LYS | ARG | ||||
| 2 | MET | SER | ARG | ASN | SER | GLY | ARG | VAL | TYR | TYR | ||||
| 3 | PHE | ASN | HIS | ILE | THR | ASN | ALA | SER | GLN | PHE | ||||
| 4 | GLU | ARG | PRO | SER | GLY |
Samples:
sample_1: Pin1 WW domain, [U-100% 13C; U-100% 15N], 1.2 nM; K2PO4 10 mM; NaCl 100 mM; NaN3 0.02%
sample_conditions_1: ionic strength: 0.15 M; pH: 6.0; pressure: 1 atm; temperature: 277.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.98.12, Gunter, Buchner - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking
CcpNmr Analysis, CCPN - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 700 MHz
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