BMRB Entry 6591

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
Deposition date:
2005-04-12
Original release date:
2005-05-26
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:

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).
PubMed: 16220560

Assembly members:

Assembly members:
AcAMP2, polymer, 30 residues, 3209 Da.
CTO, non-polymer, 627.593 Da.

Natural source:

Natural source:   Common Name: inca wheat   Taxonomy ID: 3567   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Amaranthus caudatus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AcAMP2: VGECVRGRCPSGMCCSQXGX CGKGPKYCGR

Data sets:
Data typeCount
1H chemical shifts140

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1AcAMP2F18Pff/Y20Pff1
2N, N', N''-triacetylchitotriose2

Entities:

Entity 1, AcAMP2F18Pff/Y20Pff 30 residues - 3209 Da.

1   VALGLYGLUCYSVALARGGLYARGCYSPRO
2   SERGLYMETCYSCYSSERGLNPFFGLYPFF
3   CYSGLYLYSGLYPROLYSTYRCYSGLYARG

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

1   CTO

Samples:

sample-1: AcAMP2 1 mM; TRIACETYLCHITOTRIOSE 12 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 6656
PDB