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 15358

Title: structure of caenopore-5 (99 Pro trans)   PubMed: 19917307

Deposition date: 2007-07-02 Original release date: 2009-10-12

Authors: Mysliwy, Justyna; Grotzinger, Joachim

Citation: Mysliwy, Justyna; Dingley, Andrew; Stanisak, Mareike; Jung, Sascha; Lorenzen, Inken; Roeder, Thomas; Leippe, Matthias; Grotzinger, Joachim. "Caenopore-5: the three-dimensional structure of an antimicrobial protein from Caenorhabditis elegans."  Dev. Comp. Immunol. 34, 323-330 (2010).

Assembly members:
caenopore-5, polymer, 99 residues, Formula weight is not available

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pIVEX2.4a

Entity Sequences (FASTA):
caenopore-5: MSGSHHHHHHSSGIEGRGRS ALSCQMCELVVKKYEGSADK DANVIKKDFDAECKKLFHTI PFGTRECDHYVNSKVDPIIH ELEGGTAPKDVCTKLNECP

Data sets:
Data typeCount
13C chemical shifts244
15N chemical shifts84
1H chemical shifts529

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1caenopore-5 Pro trans conformer1

Entities:

Entity 1, caenopore-5 Pro trans conformer 99 residues - Formula weight is not available

Residues 1-18 a non-native affinity tag

1   METSERGLYSERHISHISHISHISHISHIS
2   SERSERGLYILEGLUGLYARGGLYARGSER
3   ALALEUSERCYSGLNMETCYSGLULEUVAL
4   VALLYSLYSTYRGLUGLYSERALAASPLYS
5   ASPALAASNVALILELYSLYSASPPHEASP
6   ALAGLUCYSLYSLYSLEUPHEHISTHRILE
7   PROPHEGLYTHRARGGLUCYSASPHISTYR
8   VALASNSERLYSVALASPPROILEILEHIS
9   GLULEUGLUGLYGLYTHRALAPROLYSASP
10   VALCYSTHRLYSLEUASNGLUCYSPRO

Samples:

sample_1: caenopore-5, [U-99% 13C; U-99% 15N], 1 – 2 mM; sodium phosphate 50 mM; H2O 93%; D2O 7%

sample1_conditions: ionic strength: 0.05 M; pH: 5.2; pressure: 1 atm; temperature: 297 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample1_conditions
3D HNCAsample_1isotropicsample1_conditions
3D H(CCO)NHsample_1isotropicsample1_conditions
3D C(CO)NHsample_1isotropicsample1_conditions
3D 1H-15N TOCSYsample_1isotropicsample1_conditions
3D 1H-15N NOESYsample_1isotropicsample1_conditions
3D HCCH-TOCSYsample_1isotropicsample1_conditions
3D 1H-13C NOESYsample_1isotropicsample1_conditions

Software:

NMRView, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 500 MHz

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