BMRB Entry 15469
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15469
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Title: NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3 PubMed: 19636862
Deposition date: 2008-01-11 Original release date: 2008-02-05
Authors: Chatterjee, Amarnath; Johnson, Margaret; Serrano, Pedro; Pedrini, Bill; Joseph, Jeremiah; Saikatendu, Kumar; Neuman, Benjamin; Wilson, Ian; Stevens, Ray; Buchmeier, Michael; Kuhn, Peter; Wuthrich, Kurt
Citation: Chatterjee, Amarnath; Johnson, Margaret; Serrano, Pedro; Pedrini, Bill; Wuthrich, Kurt. "NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3" Biomol. NMR Assignments 1, 191-194 (2007).
Assembly members:
nsp3(513-651), polymer, 143 residues, Formula weight is not available
Natural source: Common Name: SARS virus Taxonomy ID: 227859 Superkingdom: Viruses Kingdom: not available Genus/species: Coronavirus SARS virus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
nsp3(513-651): GSHMVLPSEAPNAKEEILGT
VSWNLREMLAHAEETRKLMP
ICMDVRAIMATIQRKYKGIK
IQEGIVDYGVRFFFYTSKEP
VASIITKLNSLNEPLVTMPI
GYVTHGFNLEEAARCMRSLK
APAVVSVSSPDAVTTYNGYL
TSS
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 143 |
| 1H chemical shifts | 967 |
| 13C chemical shifts | 615 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | nsp3(513-651) | 1 |
Entities:
Entity 1, nsp3(513-651) 143 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | VAL | LEU | PRO | SER | GLU | ALA | ||||
| 2 | PRO | ASN | ALA | LYS | GLU | GLU | ILE | LEU | GLY | THR | ||||
| 3 | VAL | SER | TRP | ASN | LEU | ARG | GLU | MET | LEU | ALA | ||||
| 4 | HIS | ALA | GLU | GLU | THR | ARG | LYS | LEU | MET | PRO | ||||
| 5 | ILE | CYS | MET | ASP | VAL | ARG | ALA | ILE | MET | ALA | ||||
| 6 | THR | ILE | GLN | ARG | LYS | TYR | LYS | GLY | ILE | LYS | ||||
| 7 | ILE | GLN | GLU | GLY | ILE | VAL | ASP | TYR | GLY | VAL | ||||
| 8 | ARG | PHE | PHE | PHE | TYR | THR | SER | LYS | GLU | PRO | ||||
| 9 | VAL | ALA | SER | ILE | ILE | THR | LYS | LEU | ASN | SER | ||||
| 10 | LEU | ASN | GLU | PRO | LEU | VAL | THR | MET | PRO | ILE | ||||
| 11 | GLY | TYR | VAL | THR | HIS | GLY | PHE | ASN | LEU | GLU | ||||
| 12 | GLU | ALA | ALA | ARG | CYS | MET | ARG | SER | LEU | LYS | ||||
| 13 | ALA | PRO | ALA | VAL | VAL | SER | VAL | SER | SER | PRO | ||||
| 14 | ASP | ALA | VAL | THR | THR | TYR | ASN | GLY | TYR | LEU | ||||
| 15 | THR | SER | SER |
Samples:
sample_13C15N: nsp3(513-651), [U-99% 13C; U-98% 15N], 1.2 mM; sodium phosphate 25 mM; sodium chloride 150 mM; sodium azide 2 mM; D2O 10%; H2O 90%
sample_15N: nsp3(513-651), [U-98% 15N], 1.2 mM; sodium phosphate 25 mM; sodium chloride 150 mM; sodium azide 2 mM; D2O 10%; H2O 90%
sample_conditions_1: ionic strength: 0.227 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_15N | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_13C15N | isotropic | sample_conditions_1 |
| 3D HNCA | sample_13C15N | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_13C15N | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_13C15N | isotropic | sample_conditions_1 |
| 3D HNCO | sample_13C15N | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_13C15N | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_13C15N | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_13C15N | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_13C15N | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_13C15N | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_13C15N | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic region | sample_13C15N | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic region | sample_13C15N | isotropic | sample_conditions_1 |
Software:
CYANA v1.3, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking
CYANA v1.2, Guntert, Mumenthaler and Wuthrich - Creating Chemical Shift List
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 15618 16613 |
| PDB | |
| DBJ | BAC81346 BAC81347 BAC81360 BAC81361 BAC81374 |
| GB | AAP13439 AAP13442 AAP13566 AAP13575 AAP30028 |
| REF | NP_828849 NP_828850 NP_828862 |
| SP | P0C6T7 P0C6U8 P0C6W6 P0C6X7 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts