BMRB Entry 4748
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4748
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Citation: Nagata, Koji; Kudo, Norio; Abe, Keiko; Arai, Soichi; Tanokura, Masaru. "Three-Dimensional Solution Structure of Oryzacystatin-I, a Cysteine Proteinase
Inhibitor of the Rice, Oryza sativa L. japonica" Biochemistry 39, 14753-14760 (2000).
Assembly members:
ORYZACYSTATIN-I, polymer, 102 residues, Formula weight is not available
Natural source: Common Name: JAPANESE RICE Taxonomy ID: 39947 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Oryza sativa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: Plasmid pET-26B(+)
Entity Sequences (FASTA):
ORYZACYSTATIN-I: MSSDGGPVLGGVEPVGNEND
LHLVDLARFAVTEHNKKANS
LLEFEKLVSVKQQVVAGTLY
YFTIEVKEGDAKKLYEAKVW
EKPWMDFKELQEFKPVDASA
NA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 1243 |
| 15N chemical shifts | 100 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ORYZACYSTATIN-I | 1 |
Entities:
Entity 1, ORYZACYSTATIN-I 102 residues - Formula weight is not available
| 1 | MET | SER | SER | ASP | GLY | GLY | PRO | VAL | LEU | GLY | ||||
| 2 | GLY | VAL | GLU | PRO | VAL | GLY | ASN | GLU | ASN | ASP | ||||
| 3 | LEU | HIS | LEU | VAL | ASP | LEU | ALA | ARG | PHE | ALA | ||||
| 4 | VAL | THR | GLU | HIS | ASN | LYS | LYS | ALA | ASN | SER | ||||
| 5 | LEU | LEU | GLU | PHE | GLU | LYS | LEU | VAL | SER | VAL | ||||
| 6 | LYS | GLN | GLN | VAL | VAL | ALA | GLY | THR | LEU | TYR | ||||
| 7 | TYR | PHE | THR | ILE | GLU | VAL | LYS | GLU | GLY | ASP | ||||
| 8 | ALA | LYS | LYS | LEU | TYR | GLU | ALA | LYS | VAL | TRP | ||||
| 9 | GLU | LYS | PRO | TRP | MET | ASP | PHE | LYS | GLU | LEU | ||||
| 10 | GLN | GLU | PHE | LYS | PRO | VAL | ASP | ALA | SER | ALA | ||||
| 11 | ASN | ALA |
Samples:
sample_1: ORYZACYSTATIN-I 3 mM; sodium phosphate 50 mM; NaCl 100 mM; NaN3 0.02%; D2O 10%; H2O 90%
sample_2: ORYZACYSTATIN-I, [U-99% 15N], 2 mM; sodium phosphate 50 mM; NaCl 100 mM; NaN3 0.02%; D2O 10%; H2O 90%
sample_cond_1: pH: 6.8; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H DQF-COSY | not available | not available | not available |
| 2D 1H-1H HOHAHA | not available | not available | not available |
| 2D 1H-1H NOESY | not available | not available | not available |
| 2D 1H-15N HSQC | not available | not available | not available |
| 3D 1H-1H-15N NOESY | not available | not available | not available |
| 3D 1H-1H-15N TOCSY | not available | not available | not available |
| 3D HNHA | not available | not available | not available |
Software:
VNMR v5.3B - collection
NMRPipe v1.6 - processing
NMRDraw v1.6 - data analysis
FELIX v95 - data analysis
PIPP_CAPP v4.0 - data analysis
DYANA v1.4 - structure solution
CNS v0.9 - refinement
AQUA v2.0 - data analysis
PROCHECK-NMR v3.4 - data analysis
MOLMOL v2.6 - data analysis
NMR spectrometers:
- Varian Inova 500 MHz