BMRB Entry 5348
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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/BMR5348
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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RDF gzip file.
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Citation: Hemmi, Hikaru; Yoshida, Takuya; Kumazaki, Takashi; Nemoto, Nobuaki; Hasegawa, Jun; Nishioka, Fujio; Kyogoku, Yoshimasa; Yokosawa, Hideyoshi; Kobayashi, Yuji. "Solution structure of ascidian trypsin inhibitor determined by nuclear magnetic
resonance spectroscopy" Biochemistry 41, 10657-10664 (2002).
Assembly members:
ascidian trypsin inhibitor, polymer, 55 residues, Formula weight is not available
Natural source: Common Name: Halocynthia roretzi Taxonomy ID: 7729 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Halocynthia roretzi
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
ascidian trypsin inhibitor: AHMDCTEFNPLCRCNKMLGD
LICAVIGDAKEEHRNMCALC
CEHPGGFEYSNGPCE
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 349 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ati monomer | 1 |
Entities:
Entity 1, ati monomer 55 residues - Formula weight is not available
| 1 | ALA | HIS | MET | ASP | CYS | THR | GLU | PHE | ASN | PRO | ||||
| 2 | LEU | CYS | ARG | CYS | ASN | LYS | MET | LEU | GLY | ASP | ||||
| 3 | LEU | ILE | CYS | ALA | VAL | ILE | GLY | ASP | ALA | LYS | ||||
| 4 | GLU | GLU | HIS | ARG | ASN | MET | CYS | ALA | LEU | CYS | ||||
| 5 | CYS | GLU | HIS | PRO | GLY | GLY | PHE | GLU | TYR | SER | ||||
| 6 | ASN | GLY | PRO | CYS | GLU |
Samples:
sample_1: ascidian trypsin inhibitor1.5 – 2.0 mM
Ex-cond_1: pH: 3.7; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-1H NOESY | not available | not available | not available |
| 1H-1H TOCSY | not available | not available | not available |
| 1H-1H DQFCOSY | not available | not available | not available |
| 1H-1H ECOSY | not available | not available | not available |
Software:
NMRPipe - processing
PIPP - assignment, peak picking
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker DRX 600 MHz
- Bruker DMX 750 MHz
- JEOL alpha 600 MHz