BMRB Entry 18711
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18711
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Title: TBA
Deposition date: 2012-09-12 Original release date: 2013-06-10
Authors: Mueller, R.; Kern, Thomas; Graewert, M.; Madl, T.; Peschek, J.; Groll, M.
Citation: Mueller, R.; Kern, Thomas; Graewert, M.; Madl, T.; Peschek, J.; Groll, M.. "TBA" Not known ., .-..
Assembly members:
CH3CS, polymer, 102 residues, 11252.8084 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CH3CS: MGDILTFTIPPSFADIFLSK
SANLTCLVSNLATYETLNIS
WASQSGEPLETKIKVMESHP
NGTFSAKGVASVSVEDWNNR
KEFVCTVTHRDLPSPQKKFI
SK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 311 |
| 15N chemical shifts | 95 |
| 1H chemical shifts | 639 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CH3CS | 1 |
Entities:
Entity 1, CH3CS 102 residues - 11252.8084 Da.
| 1 | MET | GLY | ASP | ILE | LEU | THR | PHE | THR | ILE | PRO | ||||
| 2 | PRO | SER | PHE | ALA | ASP | ILE | PHE | LEU | SER | LYS | ||||
| 3 | SER | ALA | ASN | LEU | THR | CYS | LEU | VAL | SER | ASN | ||||
| 4 | LEU | ALA | THR | TYR | GLU | THR | LEU | ASN | ILE | SER | ||||
| 5 | TRP | ALA | SER | GLN | SER | GLY | GLU | PRO | LEU | GLU | ||||
| 6 | THR | LYS | ILE | LYS | VAL | MET | GLU | SER | HIS | PRO | ||||
| 7 | ASN | GLY | THR | PHE | SER | ALA | LYS | GLY | VAL | ALA | ||||
| 8 | SER | VAL | SER | VAL | GLU | ASP | TRP | ASN | ASN | ARG | ||||
| 9 | LYS | GLU | PHE | VAL | CYS | THR | VAL | THR | HIS | ARG | ||||
| 10 | ASP | LEU | PRO | SER | PRO | GLN | LYS | LYS | PHE | ILE | ||||
| 11 | SER | LYS |
Samples:
sample_new_1: CH3CS, [U-13C; U-15N], 0.3 mM
sample_conditions_new_1: ionic strength: 50.000 mM; pH: 6.800; pressure: 1 atm; temperature: 298.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N HSQC | sample_new_1 | solution | sample_conditions_new_1 |
| 13C HSQC | sample_new_1 | solution | sample_conditions_new_1 |
| 15N NOESY | sample_new_1 | solution | sample_conditions_new_1 |
| 13C NOESY ALIPHATICS | sample_new_1 | solution | sample_conditions_new_1 |
| 13C NOESY AROMATICS | sample_new_1 | solution | sample_conditions_new_1 |
Software:
AutoDep v4.3, PDBe - chemical shift assignment
ANALYSIS v2., CCPN - data analysis
CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment
CYANA vany, Guntert, Mumenthaler and Wuthrich - data analysis
NMRPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment
SPARKY vany, Goddard - chemical shift assignment
ARIA, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment
NMR spectrometers:
- BRUKER AVANCE 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts