BMRB Entry 6969
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6969
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Chemical Shift Assignment for SARS-CoV S2-HR2 PubMed: 16507566
Deposition date: 2006-02-06 Original release date: 2006-04-27
Authors: Hakansson-McReynolds, Susanna; Caffrey, Michael; Jiang, Shaokai
Citation: Hakansson-McReynolds, Susanna; Jiang, Shaokai; Rong, Lijun; Caffrey, Michael. "Solution structure of the SARS-coronavirus HR2 domain in the prefusion state" J. Biol. Chem. 281, 11965-11971 (2006).
Assembly members:
S2-Hr2, polymer, 55 residues, Formula weight is not available
Natural source: Common Name: SARS coronavirus Taxonomy ID: 227859 Superkingdom: Viruses Kingdom: not available Genus/species: Coronavirus SARS coronavirus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
S2-Hr2: GSHTSPDVDLGDISGINASV
VNIQKEIDRLNEVAKNLNES
LIDLQELGKYEQYIK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 213 |
| 15N chemical shifts | 58 |
| 1H chemical shifts | 333 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S2-HR2, chain 1 | 1 |
| 2 | S2-HR2, chain 2 | 1 |
| 3 | S2-HR2, chain 3 | 1 |
Entities:
Entity 1, S2-HR2, chain 1 55 residues - Formula weight is not available
| 1 | GLY | SER | HIS | THR | SER | PRO | ASP | VAL | ASP | LEU | ||||
| 2 | GLY | ASP | ILE | SER | GLY | ILE | ASN | ALA | SER | VAL | ||||
| 3 | VAL | ASN | ILE | GLN | LYS | GLU | ILE | ASP | ARG | LEU | ||||
| 4 | ASN | GLU | VAL | ALA | LYS | ASN | LEU | ASN | GLU | SER | ||||
| 5 | LEU | ILE | ASP | LEU | GLN | GLU | LEU | GLY | LYS | TYR | ||||
| 6 | GLU | GLN | TYR | ILE | LYS |
Samples:
sample_1: S2-Hr2, [U-95% 13C; U-95% 15N], 1 ± 0.1 mM; TFE 30%
conditions_1: pH: 7; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H15N HSQC | sample_1 | not available | conditions_1 |
| HNC0 | sample_1 | not available | conditions_1 |
| CBCA(CO)NH | sample_1 | not available | conditions_1 |
| CBCANH | sample_1 | not available | conditions_1 |
| 15N-edited TOCSY-HSQC | sample_1 | not available | conditions_1 |
| HCC(CO)NH | sample_1 | not available | conditions_1 |
| CC(CO)NH | sample_1 | not available | conditions_1 |
| 1H15N NOESY-HSQC | sample_1 | not available | conditions_1 |
Software:
No software information available
NMR spectrometers:
- Bruker AVANCE 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAC81348 BAC81362 BAC81376 BAC81390 BAC81404 |
| GB | AAP13441 AAP13567 AAP30030 AAP30713 AAP37017 |
| REF | NP_828851 |
| SP | P59594 Q0Q475 Q3I5J5 Q3LZX1 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts