BMRB Entry 36056
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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/BMR36056
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Title: Solution structure of the Family 1 carbohydrate-binding module Y5A mutant with mannosylated Ser3 PubMed: 28494147
Deposition date: 2017-02-04 Original release date: 2017-05-30
Authors: Feng, Y.; Tan, Z.
Citation: Chaffey, P.; Guan, X.; Chen, C.; Ruan, Y.; Wang, X.; Tran, A.; Koelsch, T.; Cui, Q.; Feng, T.; Tan, Z.. "Structural Insight into the Stabilizing Effect of O-Glycosylation" Biochemistry 56, 2897-2906 (2017).
Assembly members:
Exoglucanase 1, polymer, 36 residues, 3654.030 Da.
ALPHA-D-MANNOSE, non-polymer, 180.156 Da.
Natural source: Common Name: Hypocrea jecorina Taxonomy ID: 51453 Superkingdom: Eukaryoya Kingdom: Fungi Genus/species: Trichoderma jecorina
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Exoglucanase 1: TQSHAGQCGGIGYSGPTVCA
SGTTCQVLNPYYSQCL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 111 |
| 15N chemical shifts | 38 |
| 1H chemical shifts | 223 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 36 residues - 3654.030 Da.
| 1 | THR | GLN | SER | HIS | ALA | GLY | GLN | CYS | GLY | GLY | ||||
| 2 | ILE | GLY | TYR | SER | GLY | PRO | THR | VAL | CYS | ALA | ||||
| 3 | SER | GLY | THR | THR | CYS | GLN | VAL | LEU | ASN | PRO | ||||
| 4 | TYR | TYR | SER | GLN | CYS | LEU |
Entity 2, entity_2 - C6 H12 O6 - 180.156 Da.
| 1 | MAN |
Samples:
sample_1: CBM-Y5A 5 mg/mL; DSS 0.1 mg/mL; sodium acetate, [U-2H], 50 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: CBM-Y5A 5 mg/mL; DSS 0.1 mg/mL; sodium acetate, [U-2H], 50 mM; D2O, [U-2H], 100%
sample_conditions_1: ionic strength: 50 mM; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C H2BC | sample_2 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment
SANE, Duggan, Legge, Dyson & Wright - structure calculation
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts