BMRB Entry 16710
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16710
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Title: Backbone and C-beta chemical shifts of Spider Roll, NESG target OR24 PubMed: 20460129
Deposition date: 2010-02-05 Original release date: 2010-05-18
Authors: Wu, Yibing; Jha, Ramesh; Kuhlman, Brian; Szyperski, Thomas
Citation: Jha, Ramesh; Leaver-Fay, Andrew; Yin, Shuangye; Wu, Yibing; Butterfoss, Glenn; Szyperski, Thomas; Dokholyan, Nikolay; Kuhlman, Brian. "Computational design of a PAK1 binding protein." J. Mol. Biol. 400, 257-270 (2010).
Assembly members:
Spider_Roll, polymer, 61 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE-80 L (Qiagen) vector
Entity Sequences (FASTA):
Spider_Roll: HRQALGERLYPRVQCMQPAF
ASKITEMLLELSPAQLENLL
ASEDSLRDQVRYAMAGIAFH
G
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 151 |
15N chemical shifts | 49 |
1H chemical shifts | 49 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | spider roll | 1 |
Entities:
Entity 1, spider roll 61 residues - Formula weight is not available
1 | HIS | ARG | GLN | ALA | LEU | GLY | GLU | ARG | LEU | TYR | ||||
2 | PRO | ARG | VAL | GLN | CYS | MET | GLN | PRO | ALA | PHE | ||||
3 | ALA | SER | LYS | ILE | THR | GLU | MET | LEU | LEU | GLU | ||||
4 | LEU | SER | PRO | ALA | GLN | LEU | GLU | ASN | LEU | LEU | ||||
5 | ALA | SER | GLU | ASP | SER | LEU | ARG | ASP | GLN | VAL | ||||
6 | ARG | TYR | ALA | MET | ALA | GLY | ILE | ALA | PHE | HIS | ||||
7 | GLY |
Samples:
sample_1: Spider Roll 0.2 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.07 M; pH: 7; pressure: 1 atm; temperature: 288 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data prcessing
XEASY, Bartels et al. - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts