BMRB Entry 36109
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36109
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Title: NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV
Deposition date: 2017-07-23 Original release date: 2018-01-02
Authors: Lu, B.; Liao, S.; Huang, J.; Lu, Z.; Chen, D.; Liu, X.; Zhou, G.; Huang, R.
Citation: Lu, B.; Liao, S.; Chen, D.; Liu, X.; Zhou, G.; Huang, R.. "NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV" .
Assembly members:
entity_1, polymer, 22 residues, 2624.181 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: LRLIHAVRGYWLTNKVPIKR
PS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 79 |
| 15N chemical shifts | 19 |
| 1H chemical shifts | 162 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 22 residues - 2624.181 Da.
| 1 | LEU | ARG | LEU | ILE | HIS | ALA | VAL | ARG | GLY | TYR | ||||
| 2 | TRP | LEU | THR | ASN | LYS | VAL | PRO | ILE | LYS | ARG | ||||
| 3 | PRO | SER |
Samples:
sample_1: 22AA-PSTD peptide 1.0 mM; trifluoroethanol-d3, [U-2H], 40%; H2O 60%
sample_conditions_1: ionic strength: 0 mM; pH: 6.7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
Analysis v2.4, CCPN - data analysis
CNS v1.2.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMRPipe v8.9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ARIA v2.3.1, Linge, O'Donoghue and Nilges - structure calculation
NMR spectrometers:
- Agilent DD2 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts