BMRB Entry 5050
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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/BMR5050
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Chen, Chinpan; Hsu, Chun-Hua; Su, Ning-Yuan; Lin, Y-C; Chiou, Shyh-Horng; Wu, Shih-Hsiung. "Solution Structure of a Kunitz-type Chymotrypsin Inhibitor Isolated from the
Elapid Snake Bungarus fasciatus" J. Biol. Chem. 276, 45079-45087 (2001).
PubMed: 11562364
Assembly members:
Bungarus fasciatus IX, polymer, 65 residues, 7289 Da.
Natural source: Common Name: banded krait Taxonomy ID: 8613 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bungarus fasciatus
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Bungarus fasciatus IX: KNRPTFCNLLPETGRCNALI
PAFYYNSHLHKCQKFNYGGC
GGNANNFKTIDECQRTCAAK
YGRSS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 429 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BF9 | 1 |
Entities:
Entity 1, BF9 65 residues - 7289 Da.
| 1 | LYS | ASN | ARG | PRO | THR | PHE | CYS | ASN | LEU | LEU | ||||
| 2 | PRO | GLU | THR | GLY | ARG | CYS | ASN | ALA | LEU | ILE | ||||
| 3 | PRO | ALA | PHE | TYR | TYR | ASN | SER | HIS | LEU | HIS | ||||
| 4 | LYS | CYS | GLN | LYS | PHE | ASN | TYR | GLY | GLY | CYS | ||||
| 5 | GLY | GLY | ASN | ALA | ASN | ASN | PHE | LYS | THR | ILE | ||||
| 6 | ASP | GLU | CYS | GLN | ARG | THR | CYS | ALA | ALA | LYS | ||||
| 7 | TYR | GLY | ARG | SER | SER |
Samples:
sample_1: Bungarus fasciatus IX 2.0 mM
condition_1: pH: 3.0; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | not available | not available | not available |
| 2D 1H-1H TOCSY | not available | not available | not available |
| 2D 1H-1H COSY | not available | not available | not available |
Software:
xwinnmr v2.5 - data processing, resonance assignments
AURELIA v2.1.3 - resonance assignments
X-PLOR - structure generation
NMR spectrometers:
- Bruker AVA 600 MHz
- Bruker AMX 500 MHz