BMRB Entry 5617
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5617
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
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Citation: Catalano, M.; Ragona, L.; Molinari, H.; Tava, A.; Zetta, L.. "Anticarcinogenic Bowman Birk Inhibitor Isolated from Snail Medic Seeds
(Medicago scutellata): Solution Structure and Analysis of Self-association
Behavior" Biochemistry 42, 2836-2846 (2003).
PubMed: 12627949
Assembly members:
Bowman Birk inhibitor, polymer, 62 residues, Formula weight is not available
Natural source: Common Name: Medicago scutellata Taxonomy ID: 36901 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Medicago scutellata
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Bowman Birk inhibitor: TKSTTTACCDFCPCTRSIPP
QCQCTDVREKCHSACKSCLC
TRSFPPQCRCYDITDFCYPS
CS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 378 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Bowman-Birk type protease inhibitor, (MSTI) | 1 |
Entities:
Entity 1, Bowman-Birk type protease inhibitor, (MSTI) 62 residues - Formula weight is not available
| 1 | THR | LYS | SER | THR | THR | THR | ALA | CYS | CYS | ASP | ||||
| 2 | PHE | CYS | PRO | CYS | THR | ARG | SER | ILE | PRO | PRO | ||||
| 3 | GLN | CYS | GLN | CYS | THR | ASP | VAL | ARG | GLU | LYS | ||||
| 4 | CYS | HIS | SER | ALA | CYS | LYS | SER | CYS | LEU | CYS | ||||
| 5 | THR | ARG | SER | PHE | PRO | PRO | GLN | CYS | ARG | CYS | ||||
| 6 | TYR | ASP | ILE | THR | ASP | PHE | CYS | TYR | PRO | SER | ||||
| 7 | CYS | SER |
Samples:
sample_1: Bowman Birk inhibitor 1 mM; phosphate buffer 20 mM
sample_cond_1: ionic strength: 20 mM; pH: 5.6; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | not available | not available | not available |
| 2D NOESY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
Software:
XWINNMR v2.6 - collection
XEASY v1.3.13 - data analysis
DYANA v1.5 - structure solution
DISCOVER v98 - refinement
NMR spectrometers:
- Bruker AVANCE 800 MHz