BMRB Entry 12019
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR12019
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Title: Solid-state NMR C-13 and N-15 chemical shifts of the chitin binding domain of chitinase A1 from Bacillus circulans WL-12 PubMed: 30125342
Deposition date: 2018-04-12 Original release date: 2018-12-11
Authors: Akutsu, Hideo; Tanaka, Hiroki; Fujiwara, Toshimichi; Ikegami, Takahisa; Watanabe, Takeshi
Citation: Tanaka, Hiroki; Akutsu, Hideo; Yabuta, Izumi; Hara, Masashi; Sugimoto, Hayuki; Ikegami, Takahisa; Watanabe, Takeshi; Fujiwara, Toshimichi. "A novel chitin-binding mode of the chitin-binding domain of chitinase A1 from Bacillus circulans WL-12 revealed by solid-state NMR." FEBS Lett. 592, 3173-3182 (2018).
Assembly members:
ChBDA1, polymer, 46 residues, Formula weight is not available
Natural source: Common Name: Bacillus circulans Taxonomy ID: 1397 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus circulans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a
Entity Sequences (FASTA):
ChBDA1: XAWQVNTAYTAGQLVTYNGK
TYKCLQPHTSLAGWEPSNVP
ALWQLQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 225 |
| 15N chemical shifts | 49 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | chitin-binding domain of chitinase A1 | 1 |
Entities:
Entity 1, chitin-binding domain of chitinase A1 46 residues - Formula weight is not available
| 1 | FMT | ALA | TRP | GLN | VAL | ASN | THR | ALA | TYR | THR | ||||
| 2 | ALA | GLY | GLN | LEU | VAL | THR | TYR | ASN | GLY | LYS | ||||
| 3 | THR | TYR | LYS | CYS | LEU | GLN | PRO | HIS | THR | SER | ||||
| 4 | LEU | ALA | GLY | TRP | GLU | PRO | SER | ASN | VAL | PRO | ||||
| 5 | ALA | LEU | TRP | GLN | LEU | GLN |
Samples:
sample_1: ChBDA1, [U-99% 13C; U-99% 15N], 17 mg; TrisHcl 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 8; pressure: 1 atm; temperature: 253 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D RFDR | sample_1 | isotropic | sample_conditions_1 |
| 2D DARR | sample_1 | isotropic | sample_conditions_1 |
| 2D INADEQUATE | sample_1 | isotropic | sample_conditions_1 |
| 2D NCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D NCOCA | sample_1 | isotropic | sample_conditions_1 |
| 3D NCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
Felix, Accelrys Software Inc. - data analysis
NMR spectrometers:
- Varian Inifinity plus 500 MHz
- Varian Inifinity plus 700 MHz