BMRB Entry 16408
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16408
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Title: Cu(I)-bound CopK PubMed: 20192263
Deposition date: 2009-07-15 Original release date: 2010-03-12
Authors: Bersch, Beate
Citation: Sarret, Geraldine; Favier, Adrien; Coves, Jacques; Hazemann, Jean-Louis; Mergeay, Max; Bersch, Beate. "CopK from Cupriavidus metallidurans CH34 binds Cu(I) in a tetrathioether site: characterization by X-ray absorption and NMR spectroscopy." J. Am. Chem. Soc. 132, 3770-3777 (2010).
Assembly members:
periplasmic CopK protein, polymer, 74 residues, 8294.617 Da.
CU1, non-polymer, 63.546 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: Cupriavidus metallidurans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
periplasmic CopK protein: VDMSNVVKTYDLQDGSKVHV
FKDGKMGMENKFGKSMNMPE
GKVMETRDGTKIIMKGNEIF
RLDEALRKGHSEGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 278 |
| 15N chemical shifts | 73 |
| 1H chemical shifts | 496 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | CU1 | 2 |
Entities:
Entity 1, entity_1 74 residues - 8294.617 Da.
| 1 | VAL | ASP | MET | SER | ASN | VAL | VAL | LYS | THR | TYR | ||||
| 2 | ASP | LEU | GLN | ASP | GLY | SER | LYS | VAL | HIS | VAL | ||||
| 3 | PHE | LYS | ASP | GLY | LYS | MET | GLY | MET | GLU | ASN | ||||
| 4 | LYS | PHE | GLY | LYS | SER | MET | ASN | MET | PRO | GLU | ||||
| 5 | GLY | LYS | VAL | MET | GLU | THR | ARG | ASP | GLY | THR | ||||
| 6 | LYS | ILE | ILE | MET | LYS | GLY | ASN | GLU | ILE | PHE | ||||
| 7 | ARG | LEU | ASP | GLU | ALA | LEU | ARG | LYS | GLY | HIS | ||||
| 8 | SER | GLU | GLY | GLY |
Entity 2, CU1 - Cu - 63.546 Da.
| 1 | CU1 |
Samples:
sample_1: periplasmic CopK protein, [U-100% 15N], 1 mM; CU1 0.95 mM; ammonium acetate 50 mM; sodium ascorbate 10 mM
sample_2: periplasmic CopK protein, [U-100% 13C; U-100% 15N], 1.6 mM; CU1 1.5 mM; ammonium acetate 50 mM; sodium ascorbate 16 mM
sample_3: periplasmic CopK protein 1.5 mM; CU1 1.4 mM; ammonium acetate 50 mM; sodium ascorbate 14 mM
sample_conditions_1: pH: 6.8; pressure: 1.0 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment
ATHNOS-CANDID, Torsten Herrmann - peak picking, structure solution
ARIA v1.2, Linge, O, . - structure solution
NMR spectrometers:
- Varian DirectDrive 600 MHz
- Varian DirectDrive 800 MHz
Related Database Links:
| BMRB | 15655 17716 |
| PDB | |
| EMBL | CAI11334 |
| GB | ABF12967 EKZ95342 |
| REF | WP_008652571 YP_145685 |
| SP | Q58AD3 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts