BMRB Entry 6800
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6800
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Title: NMR solution structure and backbone dynamics of tick-borne E-protein domain III Langat flavivirus PubMed: 16731969
Deposition date: 2005-08-29 Original release date: 2006-11-06
Authors: Mukherjee, Munia; Dutta, Kaushik; Fox, Robert
Citation: Mukherjee, Munia; Dutta, Kaushik; White, Mark; Cowburn, David; Fox, Robert. "NMR solution structure and backbone dynamics of domain III of the E protein of tick-borne Langat flavivirus suggests a potential site for molecular recognition" Protein Sci. 15, 1342-1355 (2006).
Assembly members:
Langat E-D3, polymer, 102 residues, 11164 Da.
Natural source: Common Name: Flaviviridae Taxonomy ID: 11085 Superkingdom: viruses Kingdom: Metazoa Genus/species: Flavivirus Langat virus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Langat E-D3: GSEFGSKGLTYTVCDKTKFT
WKRAPTDSGHDTVVMEVGFS
GTRPCRIPVRAVAHGVPEVN
VAMLITPNPTMENNGGGFIE
MQLPPGDNIIYVGDLNHQWF
QK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 383 |
| 15N chemical shifts | 107 |
| 1H chemical shifts | 558 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LGT-E-D3 monomer | 1 |
Entities:
Entity 1, LGT-E-D3 monomer 102 residues - 11164 Da.
| 1 | GLY | SER | GLU | PHE | GLY | SER | LYS | GLY | LEU | THR | ||||
| 2 | TYR | THR | VAL | CYS | ASP | LYS | THR | LYS | PHE | THR | ||||
| 3 | TRP | LYS | ARG | ALA | PRO | THR | ASP | SER | GLY | HIS | ||||
| 4 | ASP | THR | VAL | VAL | MET | GLU | VAL | GLY | PHE | SER | ||||
| 5 | GLY | THR | ARG | PRO | CYS | ARG | ILE | PRO | VAL | ARG | ||||
| 6 | ALA | VAL | ALA | HIS | GLY | VAL | PRO | GLU | VAL | ASN | ||||
| 7 | VAL | ALA | MET | LEU | ILE | THR | PRO | ASN | PRO | THR | ||||
| 8 | MET | GLU | ASN | ASN | GLY | GLY | GLY | PHE | ILE | GLU | ||||
| 9 | MET | GLN | LEU | PRO | PRO | GLY | ASP | ASN | ILE | ILE | ||||
| 10 | TYR | VAL | GLY | ASP | LEU | ASN | HIS | GLN | TRP | PHE | ||||
| 11 | GLN | LYS |
Samples:
sample_1: Langat E-D3, [U-100% 13C; U-100% 15N], 0.7 mM; Tris 10 mM; Bis-Tris 50 mM; NaCL 10 mM
sample_2: Langat E-D3, [U-99% 15N], 0.8 mM
cond_1: ionic strength: 0.1 M; pH: 6.1; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N-HSQC | not available | not available | not available |
| 13C-HSQC | not available | not available | not available |
| HNCO | not available | not available | not available |
| CBCACONH | not available | not available | not available |
| HNCACB | not available | not available | not available |
| C(C0)NH | not available | not available | not available |
| HBHACONH | not available | not available | not available |
| HC(CO)NH | not available | not available | not available |
| HCCH-TOCSY | not available | not available | not available |
| N15-NOESY-HSQC | not available | not available | not available |
| N15-TOCSY-HSQC | not available | not available | not available |
| C13-NOESY-HSQC | not available | not available | not available |
Software:
NMRView v5.04 -
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts