BMRB Entry 19374
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19374
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Wang, Shujing; NGUYEN, QUOC THUC PHUONG; Tam, James P.. "Solution structure of alpha-amylase inhibitor wrightide R1 (wR1) peptide from Wrightia religiosa" .
Assembly members:
entity, polymer, 30 residues, 3255.768 Da.
Natural source: Common Name: Water Jasmine Taxonomy ID: 429305 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Wrightia religiosa
Experimental source: Production method: purified from the natural source Host organism: Wrightia religiosa Vector: not applicable
Entity Sequences (FASTA):
entity: CAQKGEYCSVYLQCCDPYHC
TQPVIGGICA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 194 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | alpha-amylase inhibitor wrightide R1 (wR1) peptide | 1 |
Entities:
Entity 1, alpha-amylase inhibitor wrightide R1 (wR1) peptide 30 residues - 3255.768 Da.
| 1 | CYS | ALA | GLN | LYS | GLY | GLU | TYR | CYS | SER | VAL | |
| 2 | TYR | LEU | GLN | CYS | CYS | ASP | PRO | TYR | HIS | CYS | |
| 3 | THR | GLN | PRO | VAL | ILE | GLY | GLY | ILE | CYS | ALA |
Samples:
sample_1: WR1 1 mM; D2O 5%; H2O 95%
sample_conditions_1: pH: 3.3; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CYANA, Guntert, Mumenthaler and Wuthrich - refinement
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMRspy, Zheng Yu, Xu Yingqi and Yang Daiwen - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz