BMRB Entry 19689
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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/BMR19689
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Title: Resonance assignments of a phytocystatin from Sesamum indicum L.
Deposition date: 2013-12-18 Original release date: 2016-02-29
Authors: Deli, Irene; Hu, Yu-Jyun; Chyan, Chia-Lin
Citation: Deli, Irene; Hu, Yu-Jyun; Chyan, Chia-Lin. "Resonance assignments and secondary structure of a phytocystatin from Sesamum indicum L." Biomol. NMR Assignments ., .-..
Assembly members:
SiCYS, polymer, 199 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SiCYS: MATLGGVHDSNSNPDTHSLA
RFAVDQHNTKENGLLELVRV
VEAREQVVAGTLHHLVLEVL
DAGKKKLYEAKIWVKPWMDF
KQLQEFKHVRDVPSFTSSDL
GAKTDDQVSGWRPVPVHDPV
VQDAAHHAIKTIQERSNSLF
PYELSEVVHANAEVVDTSAK
FDMLLKVKRGGKEEKYKVEV
HKSTEEGGFNLKKVDLDHS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 788 |
| 15N chemical shifts | 201 |
| 1H chemical shifts | 1355 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SiCYS | 1 |
Entities:
Entity 1, SiCYS 199 residues - Formula weight is not available
| 1 | MET | ALA | THR | LEU | GLY | GLY | VAL | HIS | ASP | SER | ||||
| 2 | ASN | SER | ASN | PRO | ASP | THR | HIS | SER | LEU | ALA | ||||
| 3 | ARG | PHE | ALA | VAL | ASP | GLN | HIS | ASN | THR | LYS | ||||
| 4 | GLU | ASN | GLY | LEU | LEU | GLU | LEU | VAL | ARG | VAL | ||||
| 5 | VAL | GLU | ALA | ARG | GLU | GLN | VAL | VAL | ALA | GLY | ||||
| 6 | THR | LEU | HIS | HIS | LEU | VAL | LEU | GLU | VAL | LEU | ||||
| 7 | ASP | ALA | GLY | LYS | LYS | LYS | LEU | TYR | GLU | ALA | ||||
| 8 | LYS | ILE | TRP | VAL | LYS | PRO | TRP | MET | ASP | PHE | ||||
| 9 | LYS | GLN | LEU | GLN | GLU | PHE | LYS | HIS | VAL | ARG | ||||
| 10 | ASP | VAL | PRO | SER | PHE | THR | SER | SER | ASP | LEU | ||||
| 11 | GLY | ALA | LYS | THR | ASP | ASP | GLN | VAL | SER | GLY | ||||
| 12 | TRP | ARG | PRO | VAL | PRO | VAL | HIS | ASP | PRO | VAL | ||||
| 13 | VAL | GLN | ASP | ALA | ALA | HIS | HIS | ALA | ILE | LYS | ||||
| 14 | THR | ILE | GLN | GLU | ARG | SER | ASN | SER | LEU | PHE | ||||
| 15 | PRO | TYR | GLU | LEU | SER | GLU | VAL | VAL | HIS | ALA | ||||
| 16 | ASN | ALA | GLU | VAL | VAL | ASP | THR | SER | ALA | LYS | ||||
| 17 | PHE | ASP | MET | LEU | LEU | LYS | VAL | LYS | ARG | GLY | ||||
| 18 | GLY | LYS | GLU | GLU | LYS | TYR | LYS | VAL | GLU | VAL | ||||
| 19 | HIS | LYS | SER | THR | GLU | GLU | GLY | GLY | PHE | ASN | ||||
| 20 | LEU | LYS | LYS | VAL | ASP | LEU | ASP | HIS | SER |
Samples:
SiCYS_Full: SiCYS, [U-100% 13C; U-100% 15N], 80 uM
sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | SiCYS_Full | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | SiCYS_Full | isotropic | sample_conditions_1 |
| 3D HNCO | SiCYS_Full | isotropic | sample_conditions_1 |
| 3D HNCA | SiCYS_Full | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | SiCYS_Full | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | SiCYS_Full | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | SiCYS_Full | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | SiCYS_Full | isotropic | sample_conditions_1 |
Software:
AURELIA, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts