BMRB Entry 25331
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25331
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Title: Solution structure of Family 1 Carbohydrate-Binding Module from Trichoderma reesei Cel7A with O-mannose residues at Thr1 and Ser3
Deposition date: 2014-11-12 Original release date: 2015-08-31
Authors: Happs, Renee; Chen, Liquen; Resch, Michael; Davis, Mark; Beckham, Gregg; Tan, Zhongping; Crowley, Michael
Citation: Happs, Renee; Chen, Liquen; Resch, Michael; Davis, Mark; Beckham, Gregg; Tan, Zhongping; Crowley, Michael. "O-Glycosylation Effects on Family 1 Carbohydrate-Binding Module Solution Structures" J. Biol. Chem. ., .-..
Assembly members:
CBM_2M, polymer, 36 residues, 3746.141 Da.
ALPHA-D-MANNOSE, non-polymer, 180.156 Da.
Natural source: Common Name: ascomycetes Taxonomy ID: 51453 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Trichoderma reesei
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
CBM_2M: TQSHYGQCGGIGYSGPTVCA
SGTTCQVLNPYYSQCL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 224 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CBM_2M | 1 |
| 2 | SUGAR (ALPHA-D-MANNOSE)_1 | 2 |
| 3 | SUGAR (ALPHA-D-MANNOSE)_2 | 2 |
Entities:
Entity 1, CBM_2M 36 residues - 3746.141 Da.
| 1 | THR | GLN | SER | HIS | TYR | 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, SUGAR (ALPHA-D-MANNOSE)_1 - C6 H12 O6 - 180.156 Da.
| 1 | MAN |
Samples:
sample_1: CBM_2M 1.7 mg; D2O 10%; H2O 90%; NaCl 30 mM
sample_2: CBM_2M 1.7 mg; D2O 100%; NaCl 30 mM
sample_conditions_1: ionic strength: 30 mM; pH: 5; pressure: 1 atm; temperature: 300 K
sample_conditions_2: ionic strength: 30 mM; pH: 5; pressure: 1 bar; temperature: 288 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-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_2 |
Software:
TOPSPIN v3.2, Bruker Biospin - chemical shift assignment, collection, data analysis, peak picking, processing
XPLOR-NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz