BMRB Entry 25658
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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/BMR25658
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Title: NMR STRUCTURE OF A 180 RESIDUE CONSTRUCT ENCOMPASSING THE N- TERMINAL METAL-BINDING SITE AND THE MEMBRANE PROXIMAL DOMAIN OF SILB FROM CUPRIAVIDUS METALLIDURANS CH34 PubMed: 27145046
Deposition date: 2015-06-10 Original release date: 2016-05-23
Authors: Bersch, Beate; Urbina Fernandez, Patricia; Vandenbussche, Guy
Citation: Urbina, Patricia; Bersch, Beate; De Angelis, Fabien; Derfoufi, Kheiro-Mouna; Prevost, Martine; Goormaghtigh, Erik; Vandenbussche, Guy. "Structural and Functional Investigation of the Ag(+)/Cu(+) Binding Domains of the Periplasmic Adaptor Protein SilB from Cupriavidus metallidurans CH34" Biochemistry 55, 2883-2897 (2016).
Assembly members:
ag_silbnm2, polymer, 180 residues, 19044.5717 Da.
Natural source: Common Name: Cupriavidus metallidurans Taxonomy ID: 119219 Superkingdom: Bacteria Kingdom: not available Genus/species: Cupriavidus metallidurans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
ag_silbnm2: MGSATVNGPHDGHDPAAGAE
LKTGKRILYWRDPMVPGQRF
DKPGKSPYMDMPLIPVYEEE
NADGAAVRIDGRVTQNLGVR
TAEVKLGRLGSTERLLVPSE
ALIRTGARTIAMVAKGEGGF
DPVEVKAGATAGGQSEILEG
LKAGQQVVVSGQFLIDSEAS
LRGTVARMQETTSGLEVLFQ
- assigned_chemical_shifts
- spectral_peak_list
Data type | Count |
13C chemical shifts | 678 |
15N chemical shifts | 159 |
1H chemical shifts | 970 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | ag silbnm2, chain 1 | 1 |
2 | ag silbnm2, chain 2 | 1 |
Entities:
Entity 1, ag silbnm2, chain 1 180 residues - 19044.5717 Da.
1 | MET | GLY | SER | ALA | THR | VAL | ASN | GLY | PRO | HIS | |
2 | ASP | GLY | HIS | ASP | PRO | ALA | ALA | GLY | ALA | GLU | |
3 | LEU | LYS | THR | GLY | LYS | ARG | ILE | LEU | TYR | TRP | |
4 | ARG | ASP | PRO | MET | VAL | PRO | GLY | GLN | ARG | PHE | |
5 | ASP | LYS | PRO | GLY | LYS | SER | PRO | TYR | MET | ASP | |
6 | MET | PRO | LEU | ILE | PRO | VAL | TYR | GLU | GLU | GLU | |
7 | ASN | ALA | ASP | GLY | ALA | ALA | VAL | ARG | ILE | ASP | |
8 | GLY | ARG | VAL | THR | GLN | ASN | LEU | GLY | VAL | ARG | |
9 | THR | ALA | GLU | VAL | LYS | LEU | GLY | ARG | LEU | GLY | |
10 | SER | THR | GLU | ARG | LEU | LEU | VAL | PRO | SER | GLU | |
11 | ALA | LEU | ILE | ARG | THR | GLY | ALA | ARG | THR | ILE | |
12 | ALA | MET | VAL | ALA | LYS | GLY | GLU | GLY | GLY | PHE | |
13 | ASP | PRO | VAL | GLU | VAL | LYS | ALA | GLY | ALA | THR | |
14 | ALA | GLY | GLY | GLN | SER | GLU | ILE | LEU | GLU | GLY | |
15 | LEU | LYS | ALA | GLY | GLN | GLN | VAL | VAL | VAL | SER | |
16 | GLY | GLN | PHE | LEU | ILE | ASP | SER | GLU | ALA | SER | |
17 | LEU | ARG | GLY | THR | VAL | ALA | ARG | MET | GLN | GLU | |
18 | THR | THR | SER | GLY | LEU | GLU | VAL | LEU | PHE | GLN |
Samples:
13C-15N: ag_silbnm2, [U-99% 15N], 0.5 ± 0.05 mM; AgNO3 0.6 ± 0.06 mM; MES 50.0 ± 5 mM
sample_new_1: ag_silbnm2, [U-13C; U-15N], 0.5 ± 0.05 mM; AgNO3 0.6 ± 0.06 mM; MES 50 ± 5 mM
standard: ionic strength: 50 mM; pH: 6.300; pressure: 1.000 atm; temperature: 298.000 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-13C HSQC/HMQC | 13C-15N | isotropic | standard |
2D 1H-15N HSQC/HMQC | 13C-15N | isotropic | standard |
2D 1H-13C HSQC/HMQC | 13C-15N | isotropic | standard |
3D 1H-15N NOESY | 13C-15N | isotropic | standard |
3D 1H-13C NOESY | 13C-15N | isotropic | standard |
13C EDITED NOESY | sample_new_1 | solution | standard |
CNOESY-ATNOS | sample_new_1 | solution | standard |
13C EDITED NOESY | sample_new_1 | solution | standard |
AROMNOESY-ATNOS (CENTERED ON AROMATIC CARBONS) | sample_new_1 | solution | standard |
EXPT_13 | sample_new_1 | solution | standard |
NNOESY_ATNOS | sample_new_1 | solution | standard |
Software:
Aria v2.3, Nilges - structure calculation
AutoDep v4.3, PDBe - chemical shift assignment
CNS v1.1, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- - structure calculation
CcpNmr_Analysis v2.3, CCPN - assignment, spectrum analysis, spectrum display, structure calculation
cyana vany, Guntert, Mumenthaler and Wuthrich - structure calculation
nmrDraw vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum display, processing
nmrPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum processing
nmrView vany, Johnson, One Moon Scientific - Spectrum analysis, Spectrum display
NMR spectrometers:
- Bruker Avance II HD 850 MHz
- Bruker Avance II HD 950 MHz
- Bruker AVANCE 850 MHz
- Bruker AVANCE 950 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts