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 18305

Title: Order parameters for HEWL-chitotriose   PubMed: 22593013

Deposition date: 2012-02-29 Original release date: 2012-06-13

Authors: Moorman, Veronica; Valentine, Kathleen; Wand, Joshua

Citation: Moorman, Veronica; Valentine, Kathleen; Wand, A. Joshua. "The dynamical response of hen egg white lysozyme to the binding of a carbohydrate ligand."  Protein Sci. 21, 1066-1073 (2012).

Assembly members:
HEWL, polymer, 129 residues, Formula weight is not available
N-ACETYL-D-GLUCOSAMINE, non-polymer, 221.208 Da.

Natural source:   Common Name: Chicken   Taxonomy ID: 9031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gallus gallus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
HEWL: KVFGRCELAAAMKRHGLDNY RGYSLGNWVCAAKFESNFNT QATNRNTDGSTDYGILQINS RWWCNDGRTPGSRNLCNIPC SALLSSDITASVNCAKKIVS DGNGMNAWVAWRNRCKGTDV QAWIRGCRL

Data sets:
Data typeCount
order parameters138

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HEWL1
2chitotriose2

Entities:

Entity 1, HEWL 129 residues - Formula weight is not available

1   LYSVALPHEGLYARGCYSGLULEUALAALA
2   ALAMETLYSARGHISGLYLEUASPASNTYR
3   ARGGLYTYRSERLEUGLYASNTRPVALCYS
4   ALAALALYSPHEGLUSERASNPHEASNTHR
5   GLNALATHRASNARGASNTHRASPGLYSER
6   THRASPTYRGLYILELEUGLNILEASNSER
7   ARGTRPTRPCYSASNASPGLYARGTHRPRO
8   GLYSERARGASNLEUCYSASNILEPROCYS
9   SERALALEULEUSERSERASPILETHRALA
10   SERVALASNCYSALALYSLYSILEVALSER
11   ASPGLYASNGLYMETASNALATRPVALALA
12   TRPARGASNARGCYSLYSGLYTHRASPVAL
13   GLNALATRPILEARGGLYCYSARGLEU

Entity 2, chitotriose - C8 H15 N O6 - 221.208 Da.

1   NAG

Samples:

sample_1: HEWL, [U-100% 13C; U-100% 15N; U-55% 2H], 410 uM; chitotriose 492 uM; acetate 100 mM; sodium azide 0.04%; H2O 90%; D2O 10%

sample_conditions_1: temperature: 308.15 K; pH: 4.7; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
N T1 relaxationsample_1isotropicsample_conditions_1
N T1 relaxationsample_1isotropicsample_conditions_1
N T2 relaxationsample_1isotropicsample_conditions_1
N T2 relaxationsample_1isotropicsample_conditions_1
N NOE relaxationsample_1isotropicsample_conditions_1
N NOE relaxationsample_1isotropicsample_conditions_1
IzCz relaxationsample_1isotropicsample_conditions_1
IzCz relaxationsample_1isotropicsample_conditions_1
IzCzDz relaxationsample_1isotropicsample_conditions_1
IzCzDz relaxationsample_1isotropicsample_conditions_1
IzCzDy relaxationsample_1isotropicsample_conditions_1
IzCzDy relaxationsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

Felix, Accelrys Software Inc. - processing

in-house_software, wandlab.org - data analysis

NMR spectrometers:

  • Bruker Avance 750 MHz
  • Bruker Avance 600 MHz

Related Database Links:

BMRB 1093 1104 1105 11052 1650 1651 1653 1770 1772 1798 1799 1800 1801 1802 1803 18304 1865 1881 1882 1883 1884 1975 1977 2231 2446 2786 2858 2917 2957 4562
PDB
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