BMRB Entry 15793
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15793
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Title: CopR Repressor Structure PubMed: 18837698
Deposition date: 2008-06-03 Original release date: 2008-11-14
Authors: Cantini, Francesca; Banci, Lucia; Magnani, David; Solioz, Marc
Citation: Cantini, Francesca; Banci, Lucia; Solioz, Marc. "The copper-responsive repressor CopR of Lactococcus lactis is a 'winged helix' protein" Biochem. J. ., 493-499 (2009).
Assembly members:
CopR-NTD, polymer, 99 residues, 8064.518 Da.
Natural source: Common Name: Lactococcus lactis Taxonomy ID: 1358 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactococcus lactis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CopR-NTD: MSYYHHHHHHDYDIPTTENL
YFQGAMNEVEFNVSNAELIV
MRVIWSLGEARVDEIYAQIP
QELEWSLATVKTLLGRLVKK
EMLSTEKEGRKFVYRPLME
- assigned_chemical_shifts
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| 13C chemical shifts | 230 |
| 15N chemical shifts | 52 |
| 1H chemical shifts | 407 |
| heteronuclear NOE values | 49 |
| T1 relaxation values | 49 |
| T2 relaxation values | 49 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 99 residues - 8064.518 Da.
CopR-NTD with the his tag was a protein of 99 amino acids, consisting of the 25 amino acid tag, MSYYHHHHHHDYDIPTTENLYFQGA, followed by the N-terminal 74 residues of CopR.
| 1 | MET | SER | TYR | TYR | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | ASP | TYR | ASP | ILE | PRO | THR | THR | GLU | ASN | LEU | ||||
| 3 | TYR | PHE | GLN | GLY | ALA | MET | ASN | GLU | VAL | GLU | ||||
| 4 | PHE | ASN | VAL | SER | ASN | ALA | GLU | LEU | ILE | VAL | ||||
| 5 | MET | ARG | VAL | ILE | TRP | SER | LEU | GLY | GLU | ALA | ||||
| 6 | ARG | VAL | ASP | GLU | ILE | TYR | ALA | GLN | ILE | PRO | ||||
| 7 | GLN | GLU | LEU | GLU | TRP | SER | LEU | ALA | THR | VAL | ||||
| 8 | LYS | THR | LEU | LEU | GLY | ARG | LEU | VAL | LYS | LYS | ||||
| 9 | GLU | MET | LEU | SER | THR | GLU | LYS | GLU | GLY | ARG | ||||
| 10 | LYS | PHE | VAL | TYR | ARG | PRO | LEU | MET | GLU |
Samples:
sample_1: CopR-NTD, [U-99% 13C; U-99% 15N], 0.2 ± 0.05 mM; NaPi 50 mM; NaCl 100 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.25 M; pH: 7.5; pressure: 1 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 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA v1.8.4, CARA - chemical shift assignment
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
AMBER v9, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement
TOPSPIN, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 700 MHz
Related Database Links:
| PDB | |
| DBJ | BAL50764 GAM79848 |
| EMBL | CAL98303 CDG05267 CDI47235 |
| GB | AAK04930 ABJ72438 ADA64579 ADJ60716 ADZ63448 |
| REF | NP_266988 WP_003132584 WP_011675785 WP_011835521 WP_033900304 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts