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 18347

Title: 1H chemical shift assignments for micasin   PubMed: 22586077

Deposition date: 2012-03-22 Original release date: 2012-05-22

Authors: Harvey, Peta; Craik, David; Zhu, Shunyi

Citation: Zhu, Shunyi; Gao, Bin; Harvey, Peta; Craik, David. "Dermatophytic defensin with antiinfective potential."  Proc. Natl. Acad. Sci. U.S.A. 109, 8495-8500 (2012).

Assembly members:
entity, polymer, 38 residues, 4067.714 Da.

Natural source:   Common Name: Microsporum canis   Taxonomy ID: 63405   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Arthroderma otae

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity: GFGCPFNENECHAHCLSIGR KFGFCAGPLRATCTCGKQ

Data sets:
Data typeCount
1H chemical shifts221

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1micasin1

Entities:

Entity 1, micasin 38 residues - 4067.714 Da.

1   GLYPHEGLYCYSPROPHEASNGLUASNGLU
2   CYSHISALAHISCYSLEUSERILEGLYARG
3   LYSPHEGLYPHECYSALAGLYPROLEUARG
4   ALATHRCYSTHRCYSGLYLYSGLN

Samples:

sample_1: micasin 0.5 mM; H2O 90%; D2O 10%

sample_2: micasin 0.5 mM; D2O 100%

sample_conditions_1: pH: 3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

SPARKY v2.6, Goddard - chemical shift assignment

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

CNSSOLVE v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
GB AEM44801