BMRB Entry 5768
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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/BMR5768
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Title: Solution structure of Copper-CopAS46V from Bacillus subtilis PubMed: 12888353
Deposition date: 2003-04-11 Original release date: 2003-09-08
Authors: Banci, L.; Bertini, I.; Ciofi-Baffoni, S.; Gonnelli, L.; Su, X.
Citation: Banci, L.; Bertini, I.; Ciofi-Baffoni, S.; Gonnelli, L.; Su, X.. "A Core Mutation Affecting the Folding Properties of a Soluble Domain of the ATPase Protein CopA from Bacillus subtilis" J. Mol. Biol. 331, 473-484 (2003).
Assembly members:
CPx-type ATPase CopA, polymer, 76 residues, Formula weight is not available
CU1, non-polymer, 63.546 Da.
Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
CPx-type ATPase CopA: MLSEQKEIAMQVSGMTCAAC
AARIEKGLKRMPGVTDANVN
LATETVNVIYDPAETGTAAI
QEKIEKLGYHVVIEGR
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 77 |
| 1H chemical shifts | 467 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CopA | 1 |
| 2 | copper ion (I) | 2 |
Entities:
Entity 1, CopA 76 residues - Formula weight is not available
| 1 | MET | LEU | SER | GLU | GLN | LYS | GLU | ILE | ALA | MET | ||||
| 2 | GLN | VAL | SER | GLY | MET | THR | CYS | ALA | ALA | CYS | ||||
| 3 | ALA | ALA | ARG | ILE | GLU | LYS | GLY | LEU | LYS | ARG | ||||
| 4 | MET | PRO | GLY | VAL | THR | ASP | ALA | ASN | VAL | ASN | ||||
| 5 | LEU | ALA | THR | GLU | THR | VAL | ASN | VAL | ILE | TYR | ||||
| 6 | ASP | PRO | ALA | GLU | THR | GLY | THR | ALA | ALA | ILE | ||||
| 7 | GLN | GLU | LYS | ILE | GLU | LYS | LEU | GLY | TYR | HIS | ||||
| 8 | VAL | VAL | ILE | GLU | GLY | ARG |
Entity 2, copper ion (I) - Cu - 63.546 Da.
| 1 | CU1 |
Samples:
sample_1: CPx-type ATPase CopA, [U-15N], 1.2 mM; phosphate 20 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| 3D 15N-separated NOESY | sample_1 | not available | sample_cond_1 |
| HNHA | sample_1 | not available | sample_cond_1 |
| HNHB | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr v2.6 - processing
XEASY v1.3 - structure solution
DYANA v1.5 - structure solution
AMBER v5.0 - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz
- Bruker AVANCE 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
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SPARKY: Backbone
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