BMRB Entry 25102
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25102
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Title: The NMR structure of the rubredoxin domain of the NO Reductase Flavorubredoxin from Escherichia coli
Deposition date: 2014-07-22 Original release date: 2015-07-20
Authors: Turner, David; Silva, Elisio; Lamosa, Pedro; Teixeira, Miguel
Citation: Turner, David; Silva, Elisio; Lamosa, Pedro; Teixeira, Miguel. "The NMR structure of the rubredoxin domain of the NO Reductase Flavorubredoxin from Escherichia coli" Not known ., .-..
Assembly members:
rubredoxin_domain_of_the_NO_Reductase_Flavorubredoxin, polymer, 57 residues, 6292.105 Da.
entity_ZN, non-polymer, 65.409 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
rubredoxin_domain_of_the_NO_Reductase_Flavorubredoxin: GPRMQCSVCQWIYDPAKGEP
MQDVAPGTPWSEVPDNFLCP
ECSLGKDVFEELASEAK
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 54 |
| 1H chemical shifts | 368 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | rubredoxin domain of the NO Reductase Flavorubredoxin | 1 |
| 2 | ZINC ION | 2 |
Entities:
Entity 1, rubredoxin domain of the NO Reductase Flavorubredoxin 57 residues - 6292.105 Da.
| 1 | GLY | PRO | ARG | MET | GLN | CYS | SER | VAL | CYS | GLN | ||||
| 2 | TRP | ILE | TYR | ASP | PRO | ALA | LYS | GLY | GLU | PRO | ||||
| 3 | MET | GLN | ASP | VAL | ALA | PRO | GLY | THR | PRO | TRP | ||||
| 4 | SER | GLU | VAL | PRO | ASP | ASN | PHE | LEU | CYS | PRO | ||||
| 5 | GLU | CYS | SER | LEU | GLY | LYS | ASP | VAL | PHE | GLU | ||||
| 6 | GLU | LEU | ALA | SER | GLU | ALA | LYS |
Entity 2, ZINC ION - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: rubredoxin domain of the NO Reductase Flavorubredoxin, [U-99% 15N], 1.1 mM; sodium chloride 100 mM; potassium phosphate 10 mM; sodium azide 0.04%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.2 M; pH: 7.7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
SPARKY v3.111, Goddard - chemical shift calculation, data analysis
DYANA, Guntert, Braun and Wuthrich - refinement, structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAB36989 BAE76787 BAG78482 BAI26966 BAI31996 |
| EMBL | CAP77145 CAQ33042 CAQ87930 CAQ99627 CAR04219 |
| GB | AAA69220 AAC75752 AAG57817 AAN44224 AAP18050 |
| REF | NP_311593 NP_417190 NP_708517 WP_000029585 WP_000029586 |
| SP | A1AEQ0 A7ZQD9 A8A3I7 B1IUW9 B1LQ28 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts