BMRB Entry 17196
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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/BMR17196
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Title: Solution structure of the putative copper-ion-binding protein from Bacillus anthracis str. Ames
Deposition date: 2010-09-16 Original release date: 2012-08-01
Authors: Zhang, Yongbo; Winsor, James; Dubrovska, Ievgeniia; Anderson, Wayne; Radhakrishnan, Ishwar; CSGID, CSGID
Citation: Zhang, Yongbo; Winsor, James; Dubrovska, Ievgeniia; Anderson, Wayne; Radhakrishnan, Ishwar; CSGID, CSGID. "To be published" Not known ., .-..
Assembly members:
Cu-binding protein, polymer, 71 residues, 7583.525 Da.
Natural source: Common Name: Anthrax Taxonomy ID: 1392 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus anthracis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Cu-binding protein: SNAMEQLTLQVEGMSCGHCV
NAIESSVKELNGVEQVKVQL
AEGTVEVTIDSSVVTLKDIV
AVIEDQGYDVQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 290 |
| 15N chemical shifts | 73 |
| 1H chemical shifts | 483 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cu-binding protein | 1 |
Entities:
Entity 1, Cu-binding protein 71 residues - 7583.525 Da.
| 1 | SER | ASN | ALA | MET | GLU | GLN | LEU | THR | LEU | GLN | ||||
| 2 | VAL | GLU | GLY | MET | SER | CYS | GLY | HIS | CYS | VAL | ||||
| 3 | ASN | ALA | ILE | GLU | SER | SER | VAL | LYS | GLU | LEU | ||||
| 4 | ASN | GLY | VAL | GLU | GLN | VAL | LYS | VAL | GLN | LEU | ||||
| 5 | ALA | GLU | GLY | THR | VAL | GLU | VAL | THR | ILE | ASP | ||||
| 6 | SER | SER | VAL | VAL | THR | LEU | LYS | ASP | ILE | VAL | ||||
| 7 | ALA | VAL | ILE | GLU | ASP | GLN | GLY | TYR | ASP | VAL | ||||
| 8 | GLN |
Samples:
sample_1: Cu-binding protein, [U-13C; U-15N], 1.1 mM; potassium phosphate 20 mM; sodium chloride 100 mM; beta-mercaptoethanol 1 mM; EDTA 1 mM; Protease Inhibitors trace na; sodium azide 1 mM; H2O 90%; D2O 10%
sample_2: Cu-binding protein, [U-13C; U-15N], 0.9 mM; potassium phosphate 20 mM; sodium chloride 100 mM; beta-mercaptoethanol 1 mM; EDTA 1 mM; Protease Inhibitors trace na; sodium azide 1 mM; D2O 100%
sample_conditions_1: ionic strength: 0.12 M; pH: 6.9; pressure: 1 atm; temperature: 288 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ARIA, Linge, O, . - refinement
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
SPARKY, Goddard - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAL19353 BAR75482 BAR82899 GAE99237 GAO60688 |
| EMBL | CCW06190 CDN37228 CGF80291 CGG45637 CIZ75704 |
| GB | AAP10657 AAP27596 AAS42664 AAT32973 AAT55880 |
| REF | NP_833456 NP_846110 WP_000436970 WP_000436971 WP_000436972 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts