BMRB Entry 27956
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27956
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Citation: Boswell, Zachary; Canny, Marella; Buschmann, Tanner; Sang, Julie; Latham, Michael. "Adjacent mutations in the archaeal Rad50 ABC ATPase D-loop disrupt allosteric regulation of ATP hydrolysis through different mechanisms" Nucleic Acids Res. 48, 2457-2472 (2020).
PubMed: 31889185
Assembly members:
Pf_Rad50_NBD_(L828F_mutant)_A, polymer, 199 residues, Formula weight is not available
Pf_Rad50_NBD_(L828F_mutant)_B, polymer, 174 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: 2261 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus furiosus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pRSET
Entity Sequences (FASTA):
Pf_Rad50_NBD_(L828F_mutant)_A: AMGSMKLERVTVKNFRSHSD
TVVEFKEGINLIIGQNGSGK
SSLLDAILVGLYWPLRIKDI
KKDEFTKVGARDTYIDLIFE
KDGTKYRITRRFLKGYSSGE
IHAMKRLVGNEWKHVTEPSS
KAISAFMEKLIPYNIFLNAI
YIRQGQIDAILESDEAREKV
VREVLNLDKFETAYKKLSEL
KKTINNRIKEYRDILARTE
Pf_Rad50_NBD_(L828F_mutant)_B: RERVKKEIKDLEKAKDFTEE
LIEKVKKYKALAREAALSKI
GELASEIFAEFTEGKYSEVV
VRAEENKVRLFVVWEGKERP
LTFLSGGERIALGLAFRLAM
SLYLAGEISLLILDEPTPYF
DEERRRKLITIMERYLKKIP
QVILVSHDEELKDAADHVIR
ISLENGSSKVEVVS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 138 |
| 1H chemical shifts | 411 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rad50NBD (L828F), subunit A | 1 |
| 2 | Rad50NBD (L828F), subunit B | 2 |
Entities:
Entity 1, Rad50NBD (L828F), subunit A 199 residues - Formula weight is not available
| 1 | ALA | MET | GLY | SER | MET | LYS | LEU | GLU | ARG | VAL | ||||
| 2 | THR | VAL | LYS | ASN | PHE | ARG | SER | HIS | SER | ASP | ||||
| 3 | THR | VAL | VAL | GLU | PHE | LYS | GLU | GLY | ILE | ASN | ||||
| 4 | LEU | ILE | ILE | GLY | GLN | ASN | GLY | SER | GLY | LYS | ||||
| 5 | SER | SER | LEU | LEU | ASP | ALA | ILE | LEU | VAL | GLY | ||||
| 6 | LEU | TYR | TRP | PRO | LEU | ARG | ILE | LYS | ASP | ILE | ||||
| 7 | LYS | LYS | ASP | GLU | PHE | THR | LYS | VAL | GLY | ALA | ||||
| 8 | ARG | ASP | THR | TYR | ILE | ASP | LEU | ILE | PHE | GLU | ||||
| 9 | LYS | ASP | GLY | THR | LYS | TYR | ARG | ILE | THR | ARG | ||||
| 10 | ARG | PHE | LEU | LYS | GLY | TYR | SER | SER | GLY | GLU | ||||
| 11 | ILE | HIS | ALA | MET | LYS | ARG | LEU | VAL | GLY | ASN | ||||
| 12 | GLU | TRP | LYS | HIS | VAL | THR | GLU | PRO | SER | SER | ||||
| 13 | LYS | ALA | ILE | SER | ALA | PHE | MET | GLU | LYS | LEU | ||||
| 14 | ILE | PRO | TYR | ASN | ILE | PHE | LEU | ASN | ALA | ILE | ||||
| 15 | TYR | ILE | ARG | GLN | GLY | GLN | ILE | ASP | ALA | ILE | ||||
| 16 | LEU | GLU | SER | ASP | GLU | ALA | ARG | GLU | LYS | VAL | ||||
| 17 | VAL | ARG | GLU | VAL | LEU | ASN | LEU | ASP | LYS | PHE | ||||
| 18 | GLU | THR | ALA | TYR | LYS | LYS | LEU | SER | GLU | LEU | ||||
| 19 | LYS | LYS | THR | ILE | ASN | ASN | ARG | ILE | LYS | GLU | ||||
| 20 | TYR | ARG | ASP | ILE | LEU | ALA | ARG | THR | GLU |
Entity 2, Rad50NBD (L828F), subunit B 174 residues - Formula weight is not available
| 1 | ARG | GLU | ARG | VAL | LYS | LYS | GLU | ILE | LYS | ASP | ||||
| 2 | LEU | GLU | LYS | ALA | LYS | ASP | PHE | THR | GLU | GLU | ||||
| 3 | LEU | ILE | GLU | LYS | VAL | LYS | LYS | TYR | LYS | ALA | ||||
| 4 | LEU | ALA | ARG | GLU | ALA | ALA | LEU | SER | LYS | ILE | ||||
| 5 | GLY | GLU | LEU | ALA | SER | GLU | ILE | PHE | ALA | GLU | ||||
| 6 | PHE | THR | GLU | GLY | LYS | TYR | SER | GLU | VAL | VAL | ||||
| 7 | VAL | ARG | ALA | GLU | GLU | ASN | LYS | VAL | ARG | LEU | ||||
| 8 | PHE | VAL | VAL | TRP | GLU | GLY | LYS | GLU | ARG | PRO | ||||
| 9 | LEU | THR | PHE | LEU | SER | GLY | GLY | GLU | ARG | ILE | ||||
| 10 | ALA | LEU | GLY | LEU | ALA | PHE | ARG | LEU | ALA | MET | ||||
| 11 | SER | LEU | TYR | LEU | ALA | GLY | GLU | ILE | SER | LEU | ||||
| 12 | LEU | ILE | LEU | ASP | GLU | PRO | THR | PRO | TYR | PHE | ||||
| 13 | ASP | GLU | GLU | ARG | ARG | ARG | LYS | LEU | ILE | THR | ||||
| 14 | ILE | MET | GLU | ARG | TYR | LEU | LYS | LYS | ILE | PRO | ||||
| 15 | GLN | VAL | ILE | LEU | VAL | SER | HIS | ASP | GLU | GLU | ||||
| 16 | LEU | LYS | ASP | ALA | ALA | ASP | HIS | VAL | ILE | ARG | ||||
| 17 | ILE | SER | LEU | GLU | ASN | GLY | SER | SER | LYS | VAL | ||||
| 18 | GLU | VAL | VAL | SER |
Samples:
sample_1: Pf Rad50 NBD (L828F mutant), U-2H, Iled1-[13CH3], Leud/Valg-[13CH3,12CD3], Mete-[13CH3] (ILVM), 0.5 mM; Pf Rad50 NBD (L828F mutant), U-2H, Iled1-[13CH3], Leud/Valg-[13CH3,12CD3], Mete-[13CH3] (ILVM), 0.5 mM; Pf Mre11 0.5 mM
sample_conditions_1: ionic strength: 250 mM; pH: 7; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C,1H methyl-TROSY HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Agilent DD2 600 MHz