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 25837

Title: Chemical shift assignment, NMR constraints and PDB for chromodomain 3 (CD3) of cpSRP43   PubMed: 26568381

Deposition date: 2015-10-06 Original release date: 2015-12-07

Authors: Hennig, Janosch; Sattler, Michael

Citation: Horn, Annemarie; Hennig, Janosch; Ahmed, Yasar; Stier, Gunter; Wild, Klemes; Sattler, Michael; Sinning, Irmgard. "Structural basis for cpSRP43 chromodomain selectivity and dynamics in Alb3 insertase interaction"  Nat. Commun. 6, 8875-8875 (2015).

Assembly members:
CD3, polymer, 58 residues, 6580.293 Da.

Natural source:   Common Name: Thale cress   Taxonomy ID: 3702   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Arabidopsis thaliana

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

Entity Sequences (FASTA):
CD3: GLEYAVAESVIGKRVGDDGK TIEYLVKWTDMSDATWEPQD NVDSTLVLLYQQQQPMNE

Data sets:
Data typeCount
13C chemical shifts242
15N chemical shifts67
1H chemical shifts408

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CD31

Entities:

Entity 1, CD3 58 residues - 6580.293 Da.

1   GLYLEUGLUTYRALAVALALAGLUSERVAL
2   ILEGLYLYSARGVALGLYASPASPGLYLYS
3   THRILEGLUTYRLEUVALLYSTRPTHRASP
4   METSERASPALATHRTRPGLUPROGLNASP
5   ASNVALASPSERTHRLEUVALLEULEUTYR
6   GLNGLNGLNGLNPROMETASNGLU

Samples:

sample_1: CD3, [U-100% 13C; U-100% 15N], 0.26 mM

sample_2: CD3, [U-100% 13C; U-100% 15N], 0.8 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

ARIA v1.2, Linge, O'Donoghue and Nilges - refinement

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CARA, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

  • Bruker Avance III 800 MHz
  • Bruker Avance III 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts