BMRB Entry 18899
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18899
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for the bacterial toxin Doc PubMed: 23420131
Deposition date: 2012-12-14 Original release date: 2013-10-16
Authors: van Nuland, Nico; Loris, Remy; De Geiter, Steven; Garcia-Pino, Abel
Citation: De Geiter, Steven; Loris, Remy; van Nuland, Nico; Garcia-Pino, Abel. "(1)H, (13)C, and (15)N backbone and side-chain chemical shift assignment of the toxin Doc in the unbound state" Biomol. NMR Assignments ., .-. (2013).
Assembly members:
Doc, polymer, 135 residues, Formula weight is not available
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 Vector: pET21b
Entity Sequences (FASTA):
Doc: MRHISPEELIALHDANISRY
GGLPGMSDPGRAEAIIGRVQ
ARVAYEEITDLFEVSATYLV
ATARGHIFNDANKRTALNSA
LLFLRRNGVQVFDSPELADL
TVGAATGEISVSSVADTLRR
LYGSADPLEHHHHHH
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 488 |
15N chemical shifts | 116 |
1H chemical shifts | 778 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Doc monomer | 1 |
Entities:
Entity 1, Doc monomer 135 residues - Formula weight is not available
1 | MET | ARG | HIS | ILE | SER | PRO | GLU | GLU | LEU | ILE | ||||
2 | ALA | LEU | HIS | ASP | ALA | ASN | ILE | SER | ARG | TYR | ||||
3 | GLY | GLY | LEU | PRO | GLY | MET | SER | ASP | PRO | GLY | ||||
4 | ARG | ALA | GLU | ALA | ILE | ILE | GLY | ARG | VAL | GLN | ||||
5 | ALA | ARG | VAL | ALA | TYR | GLU | GLU | ILE | THR | ASP | ||||
6 | LEU | PHE | GLU | VAL | SER | ALA | THR | TYR | LEU | VAL | ||||
7 | ALA | THR | ALA | ARG | GLY | HIS | ILE | PHE | ASN | ASP | ||||
8 | ALA | ASN | LYS | ARG | THR | ALA | LEU | ASN | SER | ALA | ||||
9 | LEU | LEU | PHE | LEU | ARG | ARG | ASN | GLY | VAL | GLN | ||||
10 | VAL | PHE | ASP | SER | PRO | GLU | LEU | ALA | ASP | LEU | ||||
11 | THR | VAL | GLY | ALA | ALA | THR | GLY | GLU | ILE | SER | ||||
12 | VAL | SER | SER | VAL | ALA | ASP | THR | LEU | ARG | ARG | ||||
13 | LEU | TYR | GLY | SER | ALA | ASP | PRO | LEU | GLU | HIS | ||||
14 | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_Doc: Doc, [U-98% 13C; U-98% 15N], 0.5 1.0 mM; NaCl 100 mM; phosphate buffer 100 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_Doc | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_Doc | isotropic | sample_conditions_1 |
3D HNCO | sample_Doc | isotropic | sample_conditions_1 |
3D HNCACB | sample_Doc | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_Doc | isotropic | sample_conditions_1 |
3D HCCH-TOCSY | sample_Doc | isotropic | sample_conditions_1 |
3D HBHA(CO)NH | sample_Doc | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_Doc | isotropic | sample_conditions_1 |
3D 1H-13C NOESY | sample_Doc | isotropic | sample_conditions_1 |
3D HNCA | sample_Doc | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CcpNMR v2.2, CCPN - chemical shift assignment
NMR spectrometers:
- Varian VNS 600 MHz
- Varian VNS 800 MHz
Related Database Links:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts