BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25331

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

Data sets:
Data typeCount
1H chemical shifts224

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1CBM_2M1
2SUGAR (ALPHA-D-MANNOSE)_12
3SUGAR (ALPHA-D-MANNOSE)_22

Entities:

Entity 1, CBM_2M 36 residues - 3746.141 Da.

1   THRGLNSERHISTYRGLYGLNCYSGLYGLY
2   ILEGLYTYRSERGLYPROTHRVALCYSALA
3   SERGLYTHRTHRCYSGLNVALLEUASNPRO
4   TYRTYRSERGLNCYSLEU

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:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_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

Related Database Links:

BMRB 192 196 25332 4057 4058 4059
PDB
EMBL CAA49596
GB AAG15502 AAP57751 AAQ76092 AEP40512 AFP58843
PIR S45380
PRF 1003195A
REF XP_006961566 XP_006969224
SP P62694 P62695