BMRB Entry 6557
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6557
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Title: Solution Conformation of adr subtype HBV Pre-S2 Epitope PubMed: 16872688
Deposition date: 2005-03-18 Original release date: 2007-11-14
Authors: Chi, S.-W.; Han, K.-H.
Citation: Chi, S.-W.; Kim, D.-H.; Kim, J.-S.; Lee, M.-K.; Han, K.-H.. "Solution conformation of an immunodominant epitope in the hepatitis B virus preS2 surface antigen" Antiviral Res. 72, 207-215 (2006).
Assembly members:
Major surface antigen, polymer, 23 residues, Formula weight is not available
Natural source: Common Name: Hepatitis B virus Taxonomy ID: 10407 Superkingdom: Viruses Kingdom: not available Genus/species: Orthohepadnavirus Hepatitis B virus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Major surface antigen: NSTTFHQALLDPRVRGLYFP
AGG
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 152 |
| coupling constants | 15 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Major surface antigen | 1 |
Entities:
Entity 1, Major surface antigen 23 residues - Formula weight is not available
| 1 | ASN | SER | THR | THR | PHE | HIS | GLN | ALA | LEU | LEU | ||||
| 2 | ASP | PRO | ARG | VAL | ARG | GLY | LEU | TYR | PHE | PRO | ||||
| 3 | ALA | GLY | GLY |
Samples:
sample_1: Major surface antigen 5 mM; CD3OH 95%; H2O 5%
sample_2: Major surface antigen 5 mM; D2O 100%
sample_cond_1: ionic strength: 0 .; pH: 3.85; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| PE-COSY | not available | not available | not available |
Software:
VNMR v6.1B - collection
FELIX v98.0 - processing
DISCOVER v2.98 - refinement
NMR spectrometers:
- Varian UNITY 500 MHz