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 16605

Title: MAUROCALCINE IN D CONFIGURATION FROM SCORPIO MAURUS PALMATUS   PubMed: 20610396

Deposition date: 2009-11-11 Original release date: 2010-06-24

Authors: Dridi, Kaouthar; Bernard, Cedric; Darbon, Herve

Citation: Poillot, Cathy; Dridi, Kaouthar; Bichraoui, Hicham; Pecher, Julien; Alphonse, Sebastien; Douzi, Badreddine; Ronjat, Michel; Darbon, Herve; De Waard, Michel. "D-Maurocalcine, a pharmacologically inert efficient cell-penetrating peptide analogue."  J. Biol. Chem. 285, 34168-34180 (2010).

Assembly members:
D-MAUROCALCINE, polymer, 33 residues, 3876.699 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
D-MAUROCALCINE: GDCLPHLKLCKENKDCCSKK CKRRGTNIEKRCR

Data sets:
Data typeCount
1H chemical shifts250

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1D-MAUROCALCINE1

Entities:

Entity 1, D-MAUROCALCINE 33 residues - 3876.699 Da.

1   GLYASPCYSLEUPROHISLEULYSLEUCYS
2   LYSGLUASNLYSASPCYSCYSSERLYSLYS
3   CYSLYSARGARGGLYTHRASNILEGLULYS
4   ARGCYSARG

Samples:

sample_1: D-MAUROCALCINE 4 mg; H2O 90%; D2O 10%

sample_2: D-MAUROCALCINE 4 mg; D2O 100%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 300 K

sample_conditions_2: pH: 7; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH v2.21, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMRView v5.2.2.01, Johnson, One Moon Scientific - chemical shift assignment

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

TOPSPIN v2.0, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 500 MHz

Related Database Links:

BMRB 4696
PDB
SP P60254