BMRB Entry 17249
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17249
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Title: 1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase PubMed: 21188559
Deposition date: 2010-10-12 Original release date: 2011-01-18
Authors: Andressen, Trygve; Buchinger, Edith; Skjaak-Break, Gudmund; Valla, Svein; Aachmann, Finn
Citation: Andreassen, Trygve; Buchinger, Edith; Skjak-Braek, Gudmund; Valla, Svein; Aachmann, Finn. "1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase." Biomol. NMR Assignments 5, 147-149 (2011).
Assembly members:
AlgE6R2, polymer, 161 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.
Natural source: Common Name: Azotobacter vinelandii Taxonomy ID: 354 Superkingdom: Bacteria Kingdom: not available Genus/species: Azotobacter vinelandii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
AlgE6R2: DPSAEAQPIVGSDLDDQLHG
TLLGEEISGGGGADQLYGYG
GGDLLDGGAGRDRLTGGEGA
DTFRFALREDSQRSAAGTFS
DLILDFDPTQDKLDVSALGF
TGLGNGYAGTLAVSVSDDGT
RTYLKSYETDAEGRSFEVSL
QGNHAAALSADNILFATPVP
V
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 606 |
| 15N chemical shifts | 160 |
| 1H chemical shifts | 941 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | R2 | 1 |
| 2 | calcium ion | 2 |
Entities:
Entity 1, R2 161 residues - Formula weight is not available
| 1 | ASP | PRO | SER | ALA | GLU | ALA | GLN | PRO | ILE | VAL | ||||
| 2 | GLY | SER | ASP | LEU | ASP | ASP | GLN | LEU | HIS | GLY | ||||
| 3 | THR | LEU | LEU | GLY | GLU | GLU | ILE | SER | GLY | GLY | ||||
| 4 | GLY | GLY | ALA | ASP | GLN | LEU | TYR | GLY | TYR | GLY | ||||
| 5 | GLY | GLY | ASP | LEU | LEU | ASP | GLY | GLY | ALA | GLY | ||||
| 6 | ARG | ASP | ARG | LEU | THR | GLY | GLY | GLU | GLY | ALA | ||||
| 7 | ASP | THR | PHE | ARG | PHE | ALA | LEU | ARG | GLU | ASP | ||||
| 8 | SER | GLN | ARG | SER | ALA | ALA | GLY | THR | PHE | SER | ||||
| 9 | ASP | LEU | ILE | LEU | ASP | PHE | ASP | PRO | THR | GLN | ||||
| 10 | ASP | LYS | LEU | ASP | VAL | SER | ALA | LEU | GLY | PHE | ||||
| 11 | THR | GLY | LEU | GLY | ASN | GLY | TYR | ALA | GLY | THR | ||||
| 12 | LEU | ALA | VAL | SER | VAL | SER | ASP | ASP | GLY | THR | ||||
| 13 | ARG | THR | TYR | LEU | LYS | SER | TYR | GLU | THR | ASP | ||||
| 14 | ALA | GLU | GLY | ARG | SER | PHE | GLU | VAL | SER | LEU | ||||
| 15 | GLN | GLY | ASN | HIS | ALA | ALA | ALA | LEU | SER | ALA | ||||
| 16 | ASP | ASN | ILE | LEU | PHE | ALA | THR | PRO | VAL | PRO | ||||
| 17 | VAL |
Entity 2, calcium ion - Ca - 40.078 Da.
| 1 | CA |
Samples:
AlgE6R2_H2O: AlgE6R2, [U-98% 13C; U-98% 15N], 1 – 1.2 mM; calcium chloride 25 ± 0.1 mM; HEPES 20 ± 0.1 mM; H2O 90%; D2O 10%
AlgE6R2_D2O: AlgE6R2, [U-98% 13C; U-98% 15N], 1 – 1.2 mM; calcium chloride 25 ± 0.1 mM; HEPES 20 ± 0.1 mM; D2O 100%
nonAlgE6R2_D2O: AlgE6R21 – 1.2 mM; calcium chloride 25 ± 0.1 mM; HEPES 20 ± 0.1 mM; D2O 100%
sample_conditions_1: ionic strength: 0.165 M; pH: 6.9; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | AlgE6R2_H2O | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | AlgE6R2_D2O | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | AlgE6R2_H2O | isotropic | sample_conditions_1 |
| 3D HNCO | AlgE6R2_H2O | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | nonAlgE6R2_D2O | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | nonAlgE6R2_D2O | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | nonAlgE6R2_D2O | isotropic | sample_conditions_1 |
| 3D HNCA | AlgE6R2_H2O | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | AlgE6R2_H2O | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | AlgE6R2_H2O | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | AlgE6R2_D2O | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | AlgE6R2_D2O | isotropic | sample_conditions_1 |
| 3D HBHANH | AlgE6R2_H2O | isotropic | sample_conditions_1 |
| 3D CBCANH | AlgE6R2_H2O | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | AlgE6R2_H2O | isotropic | sample_conditions_1 |
Software:
xwinnmr v3.5, Bruker Biospin - collection
CARA v1.4.1; 1.5.2, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts