BMRB Entry 36142
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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/BMR36142
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Title: Solution structure of LysM domain from a chitinase derived from Volvox carteri PubMed: 30976779
Deposition date: 2017-12-13 Original release date: 2018-12-17
Authors: Kitaoku, Y.; Nishimura, S.; Fukamizo, T.; Ohnuma, T.
Citation: Kitaoku, Yoshihito; Nishimura, Shigenori; Hirono, Takeru; Suginta, Wipa; Ohnuma, Takayuki; Fukamizo, Tamo. "Structures and chitin-binding properties of two N-terminal lysin motifs (LysMs) found in a chitinase from Volvox carteri." Glycobiology 29, 565-575 (2019).
Assembly members:
entity_1, polymer, 49 residues, 5305.097 Da.
Natural source: Common Name: Volvox carteri Taxonomy ID: 3068 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Volvox Volvox carteri
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MGCTYTIQPGDTFWAIAQRR
GTTVDVIQSLNPGVVPTRLQ
VGQVINVPC
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 210 |
| 15N chemical shifts | 55 |
| 1H chemical shifts | 337 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 49 residues - 5305.097 Da.
| 1 | MET | GLY | CYS | THR | TYR | THR | ILE | GLN | PRO | GLY | ||||
| 2 | ASP | THR | PHE | TRP | ALA | ILE | ALA | GLN | ARG | ARG | ||||
| 3 | GLY | THR | THR | VAL | ASP | VAL | ILE | GLN | SER | LEU | ||||
| 4 | ASN | PRO | GLY | VAL | VAL | PRO | THR | ARG | LEU | GLN | ||||
| 5 | VAL | GLY | GLN | VAL | ILE | ASN | VAL | PRO | CYS |
Samples:
sample_1: LysM, [U-13C; U-15N], 360 uM; sodium acetate, [U-2H], 20 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: LysM, [U-13C; U-15N], 267 uM; sodium acetate, [U-2H], 20 mM; D2O, [U-2H], 100%
sample_conditions_1: ionic strength: 20 mM; pH: 5.0; pressure: 1 atm; temperature: 189 K
sample_conditions_2: ionic strength: 20 mM; pH: 5.0; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_2 |
| 3D HBHACBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_2 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 3D CCH-TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, peak picking
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceIII 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts