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 6123

Title: 1H chemical shift assignments for truncated hevein of 32 aa bound to N,N',N''-triacetylchitotriose   PubMed: 15368576

Authors: Aboitiz, Nuria; Vila-Perello, Miquel; Groves, Patrick; Asensio, Juan; Andreu, David; Canada, F.; Jimenez-Barbero, Jesus

Citation: Aboitiz, Nuria; Vila-Perello, Miquel; Groves, Patrick; Asensio, Juan; Andreu, David; Canada, F.; Jimenez-Barbero, Jesus. "NMR and modeling studies of protein-carbohydrate interactions: synthesis, three-dimensional structure, and recognition properties of a minimum hevein domain with binding affinity for chitooligosaccharides"  ChemBioChem 5, 1245-1245 (2004).

Assembly members:
hevein, polymer, 32 residues, 3485 Da.
CTO, D-SACCHARIDE, 627.593 Da.

Natural source:   Common Name: Para rubber tree   Taxonomy ID: 3981   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Hevea brasiliensis

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
hevein: EQCGRQAGGKLCPNNLCCSQ WGWCGSTDEYCS

Data sets:
Data typeCount
1H chemical shifts179

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1HEV321
2N,N',N''-triacetylchitotriose2

Entities:

Entity 1, HEV32 32 residues - 3485 Da.

1   GLUGLNCYSGLYARGGLNALAGLYGLYLYS
2   LEUCYSPROASNASNLEUCYSCYSSERGLN
3   TRPGLYTRPCYSGLYSERTHRASPGLUTYR
4   CYSSER

Entity 2, N,N',N''-triacetylchitotriose - 627.593 Da.

1   CTO

Samples:

sample-1: hevein 0.5 mM; TRIACETYLCHITOTRIOSE 3 mM; Phosphate buffer 20 mM; NaCl 100 mM; H2O 90%; D2O 10%

conditions-1: ionic strength: 0.24 M; pH: 5.8; 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:

PDB
EMBL CAA05978
GB AAA33357 AAG16225 AAO63573 AAO63574 ABW34946
SP P02877