BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30433

Title: CSP2-E1Ad10   PubMed: 30125091

Deposition date: 2018-03-12 Original release date: 2018-08-22

Authors: Yang, Y.

Citation: Yang, Y.; Cornilescu, G.; Tal-Gan, Y.. "Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae"  Biochemistry 57, 5359-5369 (2018).

Assembly members:
Competence-stimulating peptide type 2, polymer, 17 residues, 2125.690 Da.

Natural source:   Common Name: Streptococcus pneumoniae   Taxonomy ID: 1313   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus pneumoniae

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Competence-stimulating peptide type 2: AMRISRIILDFLFLRKK

Data sets:
Data typeCount
13C chemical shifts30
15N chemical shifts14
1H chemical shifts107

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 17 residues - 2125.690 Da.

1   ALAMETARGILESERARGILEILELEUASP
2   PHELEUPHELEUARGLYSLYS

Samples:

sample_1: DPC, D, 250 mM; competence stimulating peptide type 2 mutant-CSP2E1Ad10 1.9 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 900 MHz

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