BMRB Entry 16741
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16741
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Title: Backbone assignments for Paracoccus denitrificans amicyanin-CuI. PubMed: 20873742
Deposition date: 2010-02-21 Original release date: 2010-10-05
Authors: Ubbink, Marcellus
Citation: Meschi, Francesca; Wiertz, Frank; Klauss, Linda; Cavalieri, Chiara; Blok, Anneloes; Ludwig, Bernd; Heering, Hendrik; Merli, Angelo; Rossi, Gian Luigi; Ubbink, Marcellus. "Amicyanin Transfers Electrons from Methylamine Dehydrogenase to Cytochrome c-551i via a Ping-Pong Mechanism, not a Ternary Complex." J. Am. Chem. Soc. 132, 14537-14545 (2010).
Assembly members:
amicyanin, polymer, 106 residues, Formula weight is not available
CU1, non-polymer, 63.546 Da.
Natural source: Common Name: Paracoccus denitrificans Taxonomy ID: 266 Superkingdom: Bacteria Kingdom: not available Genus/species: Paracoccus denitrificans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
amicyanin: GDKATIPSESPFAAAEVADG
AIVVDIAKMKYETPELHVKV
GDTVTWINREAMPHNVHFVA
GVLGEAALKGPMMKKEQAYS
LTFTEAGTYDYHCTPHPFMR
GKVVVE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 285 |
| 15N chemical shifts | 97 |
| 1H chemical shifts | 97 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | polypeptide | 1 |
| 2 | copper(I) ion | 2 |
Entities:
Entity 1, polypeptide 106 residues - Formula weight is not available
| 1 | GLY | ASP | LYS | ALA | THR | ILE | PRO | SER | GLU | SER | ||||
| 2 | PRO | PHE | ALA | ALA | ALA | GLU | VAL | ALA | ASP | GLY | ||||
| 3 | ALA | ILE | VAL | VAL | ASP | ILE | ALA | LYS | MET | LYS | ||||
| 4 | TYR | GLU | THR | PRO | GLU | LEU | HIS | VAL | LYS | VAL | ||||
| 5 | GLY | ASP | THR | VAL | THR | TRP | ILE | ASN | ARG | GLU | ||||
| 6 | ALA | MET | PRO | HIS | ASN | VAL | HIS | PHE | VAL | ALA | ||||
| 7 | GLY | VAL | LEU | GLY | GLU | ALA | ALA | LEU | LYS | GLY | ||||
| 8 | PRO | MET | MET | LYS | LYS | GLU | GLN | ALA | TYR | SER | ||||
| 9 | LEU | THR | PHE | THR | GLU | ALA | GLY | THR | TYR | ASP | ||||
| 10 | TYR | HIS | CYS | THR | PRO | HIS | PRO | PHE | MET | ARG | ||||
| 11 | GLY | LYS | VAL | VAL | VAL | GLU |
Entity 2, copper(I) ion - Cu - 63.546 Da.
| 1 | CU1 |
Samples:
sample_1: amicyanin, [U-15N], 1.2 mM
sample_conditions_1: ionic strength: 0.01 M; pH: 6.8; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
Software:
AZARA, Boucher - processing
ANSIG, Kraulis - chemical shift assignment
NMR spectrometers:
- Bruker DMX 600 MHz
Related Database Links:
| BMRB | 16740 |
| PDB | |
| EMBL | CAA39199 |
| GB | ABL72795 |
| PRF | 1702223A |
| REF | WP_041530795 |
| SP | P22364 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts