BMRB Entry 5161
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5161
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Title: Characterization of the ATP-binding Domain of the Sarco(endo)plasmic Reticulum Ca (2+) -ATPase: Probing Nucleotide Binding By Multidimensional NMR PubMed: 11802714
Deposition date: 2001-09-25 Original release date: 2001-10-17
Authors: Abu-Abed, Mona; Mal, Tapas; Kainosho, Masatsune; MacLennan, David; Ikura, Mitsuhiko
Citation: Abu-Abed, Mona; Mal, Tapas; Kainosho, Masatsune; MacLennan, David; Ikura, Mitsuhiko. "Characterization of the ATP-binding Domain of the Sarco(endo)plasmic Reticulum Ca(2+)-ATPase: Probing Nucleotide Binding By Multidimensional NMR " Biochemistry 41, 1156-1164 (2002).
Assembly members:
Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase, polymer, 247 residues, 27467.52 Da.
Natural source: Common Name: Rabbit Taxonomy ID: 9986 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oryctolagus cuniculus
Experimental source: Production method: recombinant technology Host organism: Eschirechia coli
Entity Sequences (FASTA):
Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase: SMHTTNQMSVCKMFIIDKVD
GDFCSLNEFSITGSTYAPEG
EVLKNDKPIRSGQFDGLVEL
ATICALCNDSSLDFNETKGV
YEKVGEATETALTTLVEKMN
VFNTEVRNLSKVERANACNS
VIRQLMKKEFTLEFSRDRKS
MSVYCSPAKSSRAAVGNKMF
VKGAPEGVIDRCNYVRVGTT
RVPMTGPVKEKILSVIKEWG
TGRDTLRCLALATRDTPPKR
EEMVLDDSSRFMEYETDLTF
VGVVGML
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 222 |
| 13C chemical shifts | 447 |
| 15N chemical shifts | 222 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SERCA1a(357-600) | 1 |
Entities:
Entity 1, SERCA1a(357-600) 247 residues - 27467.52 Da.
| 1 | SER | MET | HIS | THR | THR | ASN | GLN | MET | SER | VAL | ||||
| 2 | CYS | LYS | MET | PHE | ILE | ILE | ASP | LYS | VAL | ASP | ||||
| 3 | GLY | ASP | PHE | CYS | SER | LEU | ASN | GLU | PHE | SER | ||||
| 4 | ILE | THR | GLY | SER | THR | TYR | ALA | PRO | GLU | GLY | ||||
| 5 | GLU | VAL | LEU | LYS | ASN | ASP | LYS | PRO | ILE | ARG | ||||
| 6 | SER | GLY | GLN | PHE | ASP | GLY | LEU | VAL | GLU | LEU | ||||
| 7 | ALA | THR | ILE | CYS | ALA | LEU | CYS | ASN | ASP | SER | ||||
| 8 | SER | LEU | ASP | PHE | ASN | GLU | THR | LYS | GLY | VAL | ||||
| 9 | TYR | GLU | LYS | VAL | GLY | GLU | ALA | THR | GLU | THR | ||||
| 10 | ALA | LEU | THR | THR | LEU | VAL | GLU | LYS | MET | ASN | ||||
| 11 | VAL | PHE | ASN | THR | GLU | VAL | ARG | ASN | LEU | SER | ||||
| 12 | LYS | VAL | GLU | ARG | ALA | ASN | ALA | CYS | ASN | SER | ||||
| 13 | VAL | ILE | ARG | GLN | LEU | MET | LYS | LYS | GLU | PHE | ||||
| 14 | THR | LEU | GLU | PHE | SER | ARG | ASP | ARG | LYS | SER | ||||
| 15 | MET | SER | VAL | TYR | CYS | SER | PRO | ALA | LYS | SER | ||||
| 16 | SER | ARG | ALA | ALA | VAL | GLY | ASN | LYS | MET | PHE | ||||
| 17 | VAL | LYS | GLY | ALA | PRO | GLU | GLY | VAL | ILE | ASP | ||||
| 18 | ARG | CYS | ASN | TYR | VAL | ARG | VAL | GLY | THR | THR | ||||
| 19 | ARG | VAL | PRO | MET | THR | GLY | PRO | VAL | LYS | GLU | ||||
| 20 | LYS | ILE | LEU | SER | VAL | ILE | LYS | GLU | TRP | GLY | ||||
| 21 | THR | GLY | ARG | ASP | THR | LEU | ARG | CYS | LEU | ALA | ||||
| 22 | LEU | ALA | THR | ARG | ASP | THR | PRO | PRO | LYS | ARG | ||||
| 23 | GLU | GLU | MET | VAL | LEU | ASP | ASP | SER | SER | ARG | ||||
| 24 | PHE | MET | GLU | TYR | GLU | THR | ASP | LEU | THR | PHE | ||||
| 25 | VAL | GLY | VAL | VAL | GLY | MET | LEU |
Samples:
sample_1: Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase, [U-99% 2H; U-100% 13C; U-100% 15N], 1.25 mM
sample_2: Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase, [U-100% 15N], 1.0 mM
condition_1: pH: 7.5; temperature: 296 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | not available | not available | not available |
| HNCA | not available | not available | not available |
| HN(CO)CA | not available | not available | not available |
| HNCACB | not available | not available | not available |
| HN(CO)CACB | not available | not available | not available |
Software:
No software information available
NMR spectrometers:
- Varian INOVA 500 MHz
- 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