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 16819

Title: The solution structure of the dimeric culbertcidin

Deposition date: 2010-04-01 Original release date: 2012-08-03

Authors: Michalek, Matthias; Wechselberger, Rainer; Soennichsen, Frank; Dingley, Andrew; Wienk, Hans; Simanski, Maren; Herbst, Rosa; Lorenzen, Inken; Gelhaus, Christoph; Gr tzinger, Joachim; Leippe, Matthias

Citation: Michalek, Matthias; Wechselberger, Rainer; Soennichsen, Frank; Dingley, Andrew; Wienk, Hans; Simanski, Maren; Herbst, Rosa; Lorenzen, Inken; Gelhaus, Christoph; Gr tzinger, Joachim; Leippe, Matthias. "Solution structure of the culberticidin dimer"  .

Assembly members:
culbertcidin, polymer, 122 residues, 6054.9 Da.

Natural source:   Common Name: Acanthamoeba culbertsoni   Taxonomy ID: 43142   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Acanthamoeba culbertsoni

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET32a

Entity Sequences (FASTA):
culbertcidin: AMGKCSVLKKVACAAAIAGA VAACGGIDLPCVLAALKAAE GCASCFCEDHCHGVCKDLHL CAMGKCSVLKKVACAAAIAG AVAACGGIDLPCVLAALKAA EGCASCFCEDHCHGVCKDLH LC

Data sets:
Data typeCount
15N chemical shifts43
1H chemical shifts220

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1monomer11
2monomer21

Entities:

Entity 1, monomer1 122 residues - 6054.9 Da.

1   ALAMETGLYLYSCYSSERVALLEULYSLYS
2   VALALACYSALAALAALAILEALAGLYALA
3   VALALAALACYSGLYGLYILEASPLEUPRO
4   CYSVALLEUALAALALEULYSALAALAGLU
5   GLYCYSALASERCYSPHECYSGLUASPHIS
6   CYSHISGLYVALCYSLYSASPLEUHISLEU
7   CYSALAMETGLYLYSCYSSERVALLEULYS
8   LYSVALALACYSALAALAALAILEALAGLY
9   ALAVALALAALACYSGLYGLYILEASPLEU
10   PROCYSVALLEUALAALALEULYSALAALA
11   GLUGLYCYSALASERCYSPHECYSGLUASP
12   HISCYSHISGLYVALCYSLYSASPLEUHIS
13   LEUCYS

Samples:

sample_1: monomer1, [U-100% 15N], 1 mM; monomer2, [U-100% 15N], 1 mM; H2O 93%; D2O 7%; sodium-tris 20 mM

sample_conditions_1: ionic strength: 0.025 M; pH: 8.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1

Software:

DIANA v2.1, Guntert, Braun and Wuthrich - refinement, structure solution

NMRPipe v2.1, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 16727 18357 18358
PDB

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