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 6637

Title: On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Chitooligosaccharides by Hevein Domains. NMR Studies of the Structure and Binding Affinity of AcAMP2-Like Peptides with non Natural Napthyl and Fluoroaromatic Residues   PubMed: 16220560

Deposition date: 2005-05-16 Original release date: 2005-05-25

Authors: Chavez, M.; Andreu, Cecilia; Vidal, Paloma; Freire, Felix; Aboitiz, Nuria; Groves, Patrick; Asensio, Juan; Asensio, Gregorio; Muraki, Michiro; Canada, F.; Jimenez-Barbero, Jesus

Citation: Chavez, M.; Andreu, Cecilia; Vidal, Paloma; Aboitiz, Nuria; Freire, Felix; Groves, Patrick; Asensio, Juan; Asensio, Gregorio; Muraki, Michiro; Canada, F.; Jimenez-Barbero, Jesus. "On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-Like Peptides with Non-Natural Napthyl and Fluoroaromatic Residues."  Chem. Eur. J. 11, 7060-7074 (2005).

Assembly members:
AcAMP2, polymer, 30 residues, 3240 Da.
CTO, non-polymer, 627.593 Da.

Natural source:   Common Name: inca wheat, love-lies bleendig, tassel flower   Taxonomy ID: 3567   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Amaranthus caudatus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
AcAMP2: VGECVRGRCPSGMCCSQXGY CGKGPKYCGR

Data sets:
Data typeCount
1H chemical shifts150

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1AcAMP2F18Nalb1
2triacetylchitotriose2

Entities:

Entity 1, AcAMP2F18Nalb 30 residues - 3240 Da.

1   VALGLYGLUCYSVALARGGLYARGCYSPRO
2   SERGLYMETCYSCYSSERGLNNALGLYTYR
3   CYSGLYLYSGLYPROLYSTYRCYSGLYARG

Entity 2, triacetylchitotriose - C24 H41 N3 O16 - 627.593 Da.

1   CTO

Samples:

sample-1: AcAMP2 2 mM; TRIACETYLCHITOTRIOSE 16 mM; Phosphate buffer 20 mM; NaCl 100 mM; H2O 90%; D2O 10%

conditions-1: ionic strength: 0.15 M; pH: 5.6; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
TOCSYsample-1not availableconditions-1
NOESYsample-1not availableconditions-1

Software:

xwinnmr v3.2 - Data collection

XEASY v1.3.13 - data analysis

DYANA v1.5 - Structure solution

AMBER v5.0 - Structure refinement

NMR spectrometers:

  • Bruker AVANCE 800 MHz

Related Database Links:

BMRB 6657
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