BMRB Entry 19383
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19383
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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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 190 |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 333 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 54 residues - 5905.660 Da.
all disulfide bound
| 1 | ALA | GLN | PRO | LYS | CYS | ASN | PRO | ASN | LEU | HIS | ||||
| 2 | TYR | TRP | THR | THR | GLN | ASP | GLU | GLY | ALA | ALA | ||||
| 3 | ILE | GLY | LEU | ALA | TRP | ILE | PRO | TYR | PHE | GLY | ||||
| 4 | PRO | ALA | ALA | GLU | GLY | ILE | TYR | ALA | GLU | GLY | ||||
| 5 | LEU | MET | HIS | ASN | GLN | ASP | GLY | LEU | ILE | CYS | ||||
| 6 | GLY | LEU | ARG | GLN |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_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:
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SPARKY: Backbone
or all simulated shifts