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 19383

Title: NMR Structure of the Complete Internal Fusion Loop mutant I544A from Ebolavirus GP2 at pH 5.5   PubMed: 24696482

Deposition date: 2013-07-22 Original release date: 2014-04-07

Authors: Tamm, Lukas; Gregory, Sonia

Citation: Gregory, Sonia; Larsson, Per; Nelson, Elizabeth; Kasson, Peter; White, Judith; Tamm, Lukas. "Ebolavirus Entry Requires a Compact Hydrophobic Fist at the Tip of the Fusion Loop."  J. Virol. ., .-. (2014).

Assembly members:
entity, polymer, 54 residues, 5905.660 Da.

Natural source:   Common Name: Ebolavirus   Taxonomy ID: 186536   Superkingdom: Viruses   Kingdom: not available   Genus/species: Ebolavirus Zaire ebolavirus

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

Entity Sequences (FASTA):
entity: AQPKCNPNLHYWTTQDEGAA IGLAWIPYFGPAAEGIYAEG LMHNQDGLICGLRQ

Data sets:
Data typeCount
13C chemical shifts190
15N chemical shifts47
1H chemical shifts333

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 54 residues - 5905.660 Da.

all disulfide bound

1   ALAGLNPROLYSCYSASNPROASNLEUHIS
2   TYRTRPTHRTHRGLNASPGLUGLYALAALA
3   ILEGLYLEUALATRPILEPROTYRPHEGLY
4   PROALAALAGLUGLYILETYRALAGLUGLY
5   LEUMETHISASNGLNASPGLYLEUILECYS
6   GLYLEUARGGLN

Samples:

sample_1: I544A Ebov FL, [U-99% 13C; U-99% 15N], 600 uM; potassium phosphate 30 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 17638 17639 19052
PDB
GB AAA96744 AAB37095 AAB81004 AAC54887 AAC57989
REF NP_066246
SP O11457 P87666 Q05320

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