BMRB Entry 16172
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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/BMR16172
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Wilton, David; Kitahara, Ryo; Akasaka, Kazuyuki; Pandya, Maya; Williamson, Mike. "Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations" Biophys. J. 97, 1482-1490 (2009).
PubMed: 19720037
Assembly members:
barnase, polymer, 108 residues, 12132.562 Da.
Natural source: Common Name: Bacillus amyloliquefaciens Taxonomy ID: 1390 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus amyloliquefaciens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE-60
Entity Sequences (FASTA):
barnase: VINTFDGVADYLQTYHKLPD
NYITKSEAQALGWVASKGNL
ADVAPGKSIGGDIFSNREGK
LPGKSGRTWREADINYTSGF
RNSDRILYSSDWLIYKTTDA
YQTFTKIR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 356 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | barnase | 1 |
Entities:
Entity 1, barnase 108 residues - 12132.562 Da.
| 1 | VAL | ILE | ASN | THR | PHE | ASP | GLY | VAL | ALA | ASP | ||||
| 2 | TYR | LEU | GLN | THR | TYR | HIS | LYS | LEU | PRO | ASP | ||||
| 3 | ASN | TYR | ILE | THR | LYS | SER | GLU | ALA | GLN | ALA | ||||
| 4 | LEU | GLY | TRP | VAL | ALA | SER | LYS | GLY | ASN | LEU | ||||
| 5 | ALA | ASP | VAL | ALA | PRO | GLY | LYS | SER | ILE | GLY | ||||
| 6 | GLY | ASP | ILE | PHE | SER | ASN | ARG | GLU | GLY | LYS | ||||
| 7 | LEU | PRO | GLY | LYS | SER | GLY | ARG | THR | TRP | ARG | ||||
| 8 | GLU | ALA | ASP | ILE | ASN | TYR | THR | SER | GLY | PHE | ||||
| 9 | ARG | ASN | SER | ASP | ARG | ILE | LEU | TYR | SER | SER | ||||
| 10 | ASP | TRP | LEU | ILE | TYR | LYS | THR | THR | ASP | ALA | ||||
| 11 | TYR | GLN | THR | PHE | THR | LYS | ILE | ARG |
Samples:
sample_1: barnase, [U-100% 13C; U-100% 15N], 1.1 mM; sodium phosphate 30 mM; d(CGAC) 4.7 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.7; pressure: 2000 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR, Brunger - structure solution
NMR spectrometers:
- Bruker DRX 800 MHz