BMRB Entry 19703
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19703
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments and structure of Iron-sulfur cluster binding protein from Ehrlichia chaffeensis
Deposition date: 2013-12-23 Original release date: 2014-01-14
Authors: Barnwal, Ravi Pratap; Varani, Gabriele
Citation: Barnwal, Ravi Pratap; Varani, Gabriele. "Backbone 1H, 13C, and 15N Chemical Shift Assignments and structure of Iron-sulfur cluster binding protein from Ehrlichia chaffeensis" Not known ., .-..
Assembly members:
Iron-sulfur_cluster_binding_protein, polymer, 116 residues, 12862.470 Da.
Natural source: Common Name: Ehrlichia chaffeensis Taxonomy ID: 945 Superkingdom: Bacteria Kingdom: not available Genus/species: Ehrlichia chaffeensis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Iron-sulfur_cluster_binding_protein: MPLITFISPDGSRKTYEAYD
GETLLSLAHRNNVDLEGACE
GSLACSTCHVIIDPSWYDIV
EQHNEISDEENDMLDLAFGL
TDTSRLGCQIILTKELDGLC
VILPTETRNISFVKNS
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 393 |
15N chemical shifts | 98 |
1H chemical shifts | 563 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Iron-sulfur cluster binding protein | 1 |
Entities:
Entity 1, Iron-sulfur cluster binding protein 116 residues - 12862.470 Da.
1 | MET | PRO | LEU | ILE | THR | PHE | ILE | SER | PRO | ASP | ||||
2 | GLY | SER | ARG | LYS | THR | TYR | GLU | ALA | TYR | ASP | ||||
3 | GLY | GLU | THR | LEU | LEU | SER | LEU | ALA | HIS | ARG | ||||
4 | ASN | ASN | VAL | ASP | LEU | GLU | GLY | ALA | CYS | GLU | ||||
5 | GLY | SER | LEU | ALA | CYS | SER | THR | CYS | HIS | VAL | ||||
6 | ILE | ILE | ASP | PRO | SER | TRP | TYR | ASP | ILE | VAL | ||||
7 | GLU | GLN | HIS | ASN | GLU | ILE | SER | ASP | GLU | GLU | ||||
8 | ASN | ASP | MET | LEU | ASP | LEU | ALA | PHE | GLY | LEU | ||||
9 | THR | ASP | THR | SER | ARG | LEU | GLY | CYS | GLN | ILE | ||||
10 | ILE | LEU | THR | LYS | GLU | LEU | ASP | GLY | LEU | CYS | ||||
11 | VAL | ILE | LEU | PRO | THR | GLU | THR | ARG | ASN | ILE | ||||
12 | SER | PHE | VAL | LYS | ASN | SER |
Samples:
sample_1: Iron-sulfur cluster binding protein, [U-95% 15N], 1.2 mM; Iron-sulfur cluster binding protein, [U-95% 13C; U-95% 15N], 1.1 mM
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNHA | sample_1 | isotropic | sample_conditions_1 |
3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CCPNMR, CCPN - chemical shift assignment, data analysis, peak picking, refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker AMX 500 MHz
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
PDB | |
EMBL | CEI85472 |
GB | AAZ68448 ABD45498 AHX03715 AHX04894 AHX05564 |
REF | WP_006011527 WP_011304526 WP_044194855 WP_045171525 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts