BMRB Entry 19052
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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/BMR19052
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Title: NMR Structure of the Complete Internal Fusion Loop mutant L529A/I544A from Ebolavirus GP2 at pH 5.5 PubMed: 24696482
Deposition date: 2013-02-22 Original release date: 2014-02-24
Authors: Gregory, Sonia; Tamm, Lukas
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:
Ebolavirus_Fusion_Loop_L529A/I544A, polymer, 54 residues, 5863.580 Da.
Natural source: Common Name: Enterobacteria Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Ebolavirus_Fusion_Loop_L529A/I544A: AQPKCNPNLHYWTTQDEGAA
IGAAWIPYFGPAAEGIYAEG
LMHNQDGLICGLRQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 209 |
| 15N chemical shifts | 49 |
| 1H chemical shifts | 344 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ebolavirus_Fusion_Loop_L529A/I544A | 1 |
Entities:
Entity 1, Ebolavirus_Fusion_Loop_L529A/I544A 54 residues - 5863.580 Da.
| 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 | ALA | 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: Ebolavirus Fusion Loop L529A/I544A, [U-15N], 600 uM; Phosphate buffer 30 mM; NaCl 50 mM; H2O 90%; D2O 10%
sample_2: Ebolavirus Fusion Loop L529A/I544A, [U-13C; U-15N], 600 uM; Phosphate buffer 30 mM; NaCl 50 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts