BMRB Entry 27917
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27917
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Prolic-Kalinsek, Marusa; De Bruyn, Pieter; Jurenas, Dukas; Van Melderen, Laurence; Loris, Remy; Volkov, Alexander. "1H, 13C, and 15N backbone and side chain chemical shift assignment of YdaS, a monomeric member of the HigA family" Biomol. NMR Assign. 14, 25-30 (2020).
PubMed: 31625047
Assembly members:
IdaS, polymer, 109 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: pET28b
Entity Sequences (FASTA):
IdaS: MTLKEFIKSLRVGDAKKFAA
RLGVSPSYLSQMASGRTAIS
PTRALMIESATEGQVSRAEL
RPHDWELIWPEYASGIRLGQ
THVVHAEGDCSACLSDGVDS
GSSHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 428 |
| 15N chemical shifts | 102 |
| 1H chemical shifts | 669 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | IdaS | 1 |
Entities:
Entity 1, IdaS 109 residues - Formula weight is not available
| 1 | MET | THR | LEU | LYS | GLU | PHE | ILE | LYS | SER | LEU | ||||
| 2 | ARG | VAL | GLY | ASP | ALA | LYS | LYS | PHE | ALA | ALA | ||||
| 3 | ARG | LEU | GLY | VAL | SER | PRO | SER | TYR | LEU | SER | ||||
| 4 | GLN | MET | ALA | SER | GLY | ARG | THR | ALA | ILE | SER | ||||
| 5 | PRO | THR | ARG | ALA | LEU | MET | ILE | GLU | SER | ALA | ||||
| 6 | THR | GLU | GLY | GLN | VAL | SER | ARG | ALA | GLU | LEU | ||||
| 7 | ARG | PRO | HIS | ASP | TRP | GLU | LEU | ILE | TRP | PRO | ||||
| 8 | GLU | TYR | ALA | SER | GLY | ILE | ARG | LEU | GLY | GLN | ||||
| 9 | THR | HIS | VAL | VAL | HIS | ALA | GLU | GLY | ASP | CYS | ||||
| 10 | SER | ALA | CYS | LEU | SER | ASP | GLY | VAL | ASP | SER | ||||
| 11 | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: IdaS, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 150 mM; D2O, [U-99% 2H], 10%
sample_conditions_1: ionic strength: 165 mM; pH: 6.0; pressure: 1 atm; temperature: 298 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 HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(C)CH TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | 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 aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCD)HD | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCDCE)HE | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Analysis, CCPN - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks