BMRB Entry 19984
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19984
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Title: 1H, 13C, 15N Resonance Assignment of the Chitin-Active Lytic Polysaccharide Monooxygenase BlLPMO10A from Bacillus licheniformis
Deposition date: 2014-05-21 Original release date: 2016-04-25
Authors: Courtade, Gaston; Balzer, Simone; Forsberg, Zarah; Vaaje-Kolstad, Gustav; Eijsink, Vincent; Aachmann, Finn
Citation: Courtade, Gaston; Balzer, Simone; Forsberg, Zarah; Vaaje-Kolstad, Gustav; Eijsink, Vincent; Aachmann, Finn. "1H, 13C, 15N resonance assignment of the chitin-active lytic polysaccharide monooxygenase BlLPMO10A from Bacillus licheniformis" Biomol. NMR Assignments ., .-. (2016).
Assembly members:
BlLPMO10A, polymer, 172 residues, Formula weight is not available
Natural source: Common Name: Clostridium licheniforme Taxonomy ID: 1402 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus licheniformis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
BlLPMO10A: HGFIEKPGSRAALCSEAFGF
LNLNCGSVMYEPQSLEAKKG
FPHSGPADGQIASAGGLFGG
ILDQQSENRWFKHIMTGGEH
TFTWTYTAPHNTSQWHYYIT
KKGWDPDKPLKRADFELIGA
VPHDGSPASRNLSHHIYIPE
DRLGYHVILAVWDVADTENA
FYQVIDVDLVNK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 675 |
| 15N chemical shifts | 177 |
| 1H chemical shifts | 1069 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BlLPMO10A | 1 |
Entities:
Entity 1, BlLPMO10A 172 residues - Formula weight is not available
| 1 | HIS | GLY | PHE | ILE | GLU | LYS | PRO | GLY | SER | ARG | ||||
| 2 | ALA | ALA | LEU | CYS | SER | GLU | ALA | PHE | GLY | PHE | ||||
| 3 | LEU | ASN | LEU | ASN | CYS | GLY | SER | VAL | MET | TYR | ||||
| 4 | GLU | PRO | GLN | SER | LEU | GLU | ALA | LYS | LYS | GLY | ||||
| 5 | PHE | PRO | HIS | SER | GLY | PRO | ALA | ASP | GLY | GLN | ||||
| 6 | ILE | ALA | SER | ALA | GLY | GLY | LEU | PHE | GLY | GLY | ||||
| 7 | ILE | LEU | ASP | GLN | GLN | SER | GLU | ASN | ARG | TRP | ||||
| 8 | PHE | LYS | HIS | ILE | MET | THR | GLY | GLY | GLU | HIS | ||||
| 9 | THR | PHE | THR | TRP | THR | TYR | THR | ALA | PRO | HIS | ||||
| 10 | ASN | THR | SER | GLN | TRP | HIS | TYR | TYR | ILE | THR | ||||
| 11 | LYS | LYS | GLY | TRP | ASP | PRO | ASP | LYS | PRO | LEU | ||||
| 12 | LYS | ARG | ALA | ASP | PHE | GLU | LEU | ILE | GLY | ALA | ||||
| 13 | VAL | PRO | HIS | ASP | GLY | SER | PRO | ALA | SER | ARG | ||||
| 14 | ASN | LEU | SER | HIS | HIS | ILE | TYR | ILE | PRO | GLU | ||||
| 15 | ASP | ARG | LEU | GLY | TYR | HIS | VAL | ILE | LEU | ALA | ||||
| 16 | VAL | TRP | ASP | VAL | ALA | ASP | THR | GLU | ASN | ALA | ||||
| 17 | PHE | TYR | GLN | VAL | ILE | ASP | VAL | ASP | LEU | VAL | ||||
| 18 | ASN | LYS |
Samples:
label_H2O: BlLPMO10A, [U-98% 13C; U-98% 15N], 1 – 1.5 mM; sodium phosphate 25 ± 0.1 mM; sodium chloride 10 ± 0.1 mM; D2O 10%; H2O 90%
label_D2O: BlLPMO10A, [U-98% 13C; U-98% 15N], 1 – 1.5 mM; sodium phosphate 25 ± 0.1 mM; sodium chloride 10 ± 0.1 mM; D2O 100%
non_H2O: BlLPMO10A1 – 1.5 mM; sodium phosphate 25 ± 0.1 mM; sodium chloride 10 ± 0.1 mM; D2O 10%; H2O 90%
non_D2O: BlLPMO10A1 – 1.5 mM; sodium phosphate 25 ± 0.1 mM; sodium chloride 10 ± 0.1 mM; D2O 100%
sample_conditions_1: ionic strength: 0.085 M; pH: 5.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | label_H2O | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | label_H2O | isotropic | sample_conditions_1 |
| 3D HNCO | label_H2O | isotropic | sample_conditions_1 |
| 3D HCACO | label_H2O | isotropic | sample_conditions_1 |
| 3D HNCA | label_H2O | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | label_H2O | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | label_H2O | isotropic | sample_conditions_1 |
| 3D CBCANH | label_H2O | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | label_H2O | isotropic | sample_conditions_1 |
| 3D HBHANH | label_H2O | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | non_D2O | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | label_D2O | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | non_H2O | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | non_H2O | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | non_H2O | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | non_D2O | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | non_D2O | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | non_D2O | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection
CARA v1.5.1/1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis
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