BMRB Entry 17432
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17432
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Title: Solution structure of murine myristoylated msrA PubMed: 22661718
Deposition date: 2011-01-27 Original release date: 2012-01-09
Authors: Gruschus, James; Lim, Jungchae; Piszczek, Grzegorz; Levine, Rodney; Tjandra, Nico
Citation: Lim, Jung Chae; Gruschus, James; Ghesquiere, Bart; Kim, Geumsoo; Piszczek, Grzegorz; Tjandra, Nico; Levine, Rodney. "Characterization and solution structure of mouse myristoylated methionine sulfoxide reductase A." J. Biol. Chem. 287, 25589-25595 (2012).
Assembly members:
msrA, polymer, 212 residues, 23679.752 Da.
MYR, non-polymer, 228.371 Da.
Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
msrA: GDSASKVISAEEALPGRTEP
IPVTAKHHVSGNRTVEPFPE
GTQMAVFGMGCFWGAERKFW
VLKGVYSTQVGFAGGHTRNP
TYKEVCSEKTGHAEVVRVVY
RPEHISFEELLKVFWENHDP
TQGMRQGNDFGTQYRSAVYP
TSAVQMEAALRSKEEYQKVL
SKHNFGPITTDIREGQVFYY
AEDYHQQYLSKNPDGYCGLG
GTGVSCPMAIKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 393 |
| 15N chemical shifts | 196 |
| 1H chemical shifts | 421 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | msrA | 1 |
| 2 | MYRISTIC ACID | 2 |
Entities:
Entity 1, msrA 212 residues - 23679.752 Da.
| 1 | GLY | ASP | SER | ALA | SER | LYS | VAL | ILE | SER | ALA | ||||
| 2 | GLU | GLU | ALA | LEU | PRO | GLY | ARG | THR | GLU | PRO | ||||
| 3 | ILE | PRO | VAL | THR | ALA | LYS | HIS | HIS | VAL | SER | ||||
| 4 | GLY | ASN | ARG | THR | VAL | GLU | PRO | PHE | PRO | GLU | ||||
| 5 | GLY | THR | GLN | MET | ALA | VAL | PHE | GLY | MET | GLY | ||||
| 6 | CYS | PHE | TRP | GLY | ALA | GLU | ARG | LYS | PHE | TRP | ||||
| 7 | VAL | LEU | LYS | GLY | VAL | TYR | SER | THR | GLN | VAL | ||||
| 8 | GLY | PHE | ALA | GLY | GLY | HIS | THR | ARG | ASN | PRO | ||||
| 9 | THR | TYR | LYS | GLU | VAL | CYS | SER | GLU | LYS | THR | ||||
| 10 | GLY | HIS | ALA | GLU | VAL | VAL | ARG | VAL | VAL | TYR | ||||
| 11 | ARG | PRO | GLU | HIS | ILE | SER | PHE | GLU | GLU | LEU | ||||
| 12 | LEU | LYS | VAL | PHE | TRP | GLU | ASN | HIS | ASP | PRO | ||||
| 13 | THR | GLN | GLY | MET | ARG | GLN | GLY | ASN | ASP | PHE | ||||
| 14 | GLY | THR | GLN | TYR | ARG | SER | ALA | VAL | TYR | PRO | ||||
| 15 | THR | SER | ALA | VAL | GLN | MET | GLU | ALA | ALA | LEU | ||||
| 16 | ARG | SER | LYS | GLU | GLU | TYR | GLN | LYS | VAL | LEU | ||||
| 17 | SER | LYS | HIS | ASN | PHE | GLY | PRO | ILE | THR | THR | ||||
| 18 | ASP | ILE | ARG | GLU | GLY | GLN | VAL | PHE | TYR | TYR | ||||
| 19 | ALA | GLU | ASP | TYR | HIS | GLN | GLN | TYR | LEU | SER | ||||
| 20 | LYS | ASN | PRO | ASP | GLY | TYR | CYS | GLY | LEU | GLY | ||||
| 21 | GLY | THR | GLY | VAL | SER | CYS | PRO | MET | ALA | ILE | ||||
| 22 | LYS | LYS |
Entity 2, MYRISTIC ACID - C14 H28 O2 - 228.371 Da.
| 1 | MYR |
Samples:
sample_1: msrA, [U-98% 13C; U-98% 15N], 0.3 ± 0.05 mM; DTT 5 ± .2 mM; TRIS 50 ± 1 mM; EDTA 5 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAB22035 BAB26522 BAC33889 |
| GB | AAH89311 EDL36048 |
| REF | NP_001240641 NP_001240645 NP_080598 XP_006518492 XP_011243223 |
| SP | Q9D6Y7 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts