BMRB Entry 27560
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27560
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NMR-STAR v3 text file.
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Citation: Liptak, Cary; Mahmoud, Mariam; Eckenroth, Brian; Moreno, Marcus; East, Kyle; Alnajjar, Khadijeh; Huang, Ji; Towle-Weicksel, Jamie; Doubli, Sylvie; Loria, J Patrick; Sweasy, Joann. "I260Q DNA polymerase beta highlights precatalytic conformational rearrangements critical for fidelity" Nucleic Acids Res. 46, 10740-10756 (2018).
PubMed: 30239932
Assembly members:
DNA_Polymerase_beta, polymer, 335 residues, Formula weight is not available
gapped_DNA_template, polymer, 20 residues, Formula weight is not available
gapped_DNA_upstream, polymer, 11 residues, Formula weight is not available
gapped_DNA_downstream, polymer, 8 residues, Formula weight is not available
Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: purified from the natural source Host organism: Escherichia coli Vector: pET43.1b
Entity Sequences (FASTA):
DNA_Polymerase_beta: MSKRKAPQETLNGGITDMLV
ELANFEKNVSQAIHKYNAYR
KAASVIAKYPHKIKSGAEAK
KLPGVGTKIAEKIDEFLATG
KLRKLEKIRQDDTSSSINFL
TRVTGIGPSAARKLVDEGIK
TLEDLRKNEDKLNHHQRIGL
KYFEDFEKRIPREEMLQMQD
IVLNEVKKLDPEYIATVCGS
FRRGAESSGDMDVLLTHPNF
TSESSKQPKLLHRVVEQLQK
VRFITDTLSKGETKFMGVCQ
LPSENDENEYPHRRIDIRLI
PKDQYYAGVLYFTGSDIFNK
NMRAHALEKGFTINEYTIRP
LGVTGVAGEPLPVDSEQDIF
DYIQWRYREPKDRSE
gapped_DNA_template: CGACCGACGGCGCATCAGCC
gapped_DNA_upstream: GGCTGATGCGC
gapped_DNA_downstream: GTCGGTCG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 76 |
| 1H chemical shifts | 228 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | chain A | 1 |
| 2 | template | 2 |
| 3 | upstream | 3 |
| 4 | downstream | 4 |
Entities:
Entity 1, chain A 335 residues - Formula weight is not available
| 1 | MET | SER | LYS | ARG | LYS | ALA | PRO | GLN | GLU | THR | ||||
| 2 | LEU | ASN | GLY | GLY | ILE | THR | ASP | MET | LEU | VAL | ||||
| 3 | GLU | LEU | ALA | ASN | PHE | GLU | LYS | ASN | VAL | SER | ||||
| 4 | GLN | ALA | ILE | HIS | LYS | TYR | ASN | ALA | TYR | ARG | ||||
| 5 | LYS | ALA | ALA | SER | VAL | ILE | ALA | LYS | TYR | PRO | ||||
| 6 | HIS | LYS | ILE | LYS | SER | GLY | ALA | GLU | ALA | LYS | ||||
| 7 | LYS | LEU | PRO | GLY | VAL | GLY | THR | LYS | ILE | ALA | ||||
| 8 | GLU | LYS | ILE | ASP | GLU | PHE | LEU | ALA | THR | GLY | ||||
| 9 | LYS | LEU | ARG | LYS | LEU | GLU | LYS | ILE | ARG | GLN | ||||
| 10 | ASP | ASP | THR | SER | SER | SER | ILE | ASN | PHE | LEU | ||||
| 11 | THR | ARG | VAL | THR | GLY | ILE | GLY | PRO | SER | ALA | ||||
| 12 | ALA | ARG | LYS | LEU | VAL | ASP | GLU | GLY | ILE | LYS | ||||
| 13 | THR | LEU | GLU | ASP | LEU | ARG | LYS | ASN | GLU | ASP | ||||
| 14 | LYS | LEU | ASN | HIS | HIS | GLN | ARG | ILE | GLY | LEU | ||||
| 15 | LYS | TYR | PHE | GLU | ASP | PHE | GLU | LYS | ARG | ILE | ||||
| 16 | PRO | ARG | GLU | GLU | MET | LEU | GLN | MET | GLN | ASP | ||||
| 17 | ILE | VAL | LEU | ASN | GLU | VAL | LYS | LYS | LEU | ASP | ||||
| 18 | PRO | GLU | TYR | ILE | ALA | THR | VAL | CYS | GLY | SER | ||||
| 19 | PHE | ARG | ARG | GLY | ALA | GLU | SER | SER | GLY | ASP | ||||
| 20 | MET | ASP | VAL | LEU | LEU | THR | HIS | PRO | ASN | PHE | ||||
| 21 | THR | SER | GLU | SER | SER | LYS | GLN | PRO | LYS | LEU | ||||
| 22 | LEU | HIS | ARG | VAL | VAL | GLU | GLN | LEU | GLN | LYS | ||||
| 23 | VAL | ARG | PHE | ILE | THR | ASP | THR | LEU | SER | LYS | ||||
| 24 | GLY | GLU | THR | LYS | PHE | MET | GLY | VAL | CYS | GLN | ||||
| 25 | LEU | PRO | SER | GLU | ASN | ASP | GLU | ASN | GLU | TYR | ||||
| 26 | PRO | HIS | ARG | ARG | ILE | ASP | ILE | ARG | LEU | ILE | ||||
| 27 | PRO | LYS | ASP | GLN | TYR | TYR | ALA | GLY | VAL | LEU | ||||
| 28 | TYR | PHE | THR | GLY | SER | ASP | ILE | PHE | ASN | LYS | ||||
| 29 | ASN | MET | ARG | ALA | HIS | ALA | LEU | GLU | LYS | GLY | ||||
| 30 | PHE | THR | ILE | ASN | GLU | TYR | THR | ILE | ARG | PRO | ||||
| 31 | LEU | GLY | VAL | THR | GLY | VAL | ALA | GLY | GLU | PRO | ||||
| 32 | LEU | PRO | VAL | ASP | SER | GLU | GLN | ASP | ILE | PHE | ||||
| 33 | ASP | TYR | ILE | GLN | TRP | ARG | TYR | ARG | GLU | PRO | ||||
| 34 | LYS | ASP | ARG | SER | GLU |
Entity 2, template 20 residues - Formula weight is not available
| 1 | DC | DG | DA | DC | DC | DG | DA | DC | DG | DG | |
| 2 | DC | DG | DC | DA | DT | DC | DA | DG | DC | DC |
Entity 3, upstream 11 residues - Formula weight is not available
| 1 | DG | DG | DC | DT | DG | DA | DT | DG | DC | DG | ||||
| 2 | DC |
Entity 4, downstream 8 residues - Formula weight is not available
| 1 | DG | DT | DC | DG | DG | DT | DC | DG |
Samples:
sample_1: DNA Polymerase beta, [U-13C; U-15N; U-2H; 99.5% 1HD-Ile,Leu; 99.5% 1HG-Val], 430 uM; potassium chloride 100 mM; HEPES 50 mM; DTT 2 mM; magnesium chloride 10 mM; gapped DNA template 720 mM; gapped DNA upstream 720 mM; gapped DNA downstream 720 mM
sample_conditions_1: pH: 7.36; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC methyl | sample_1 | isotropic | sample_conditions_1 |
| HMCM[CG]CBCA | sample_1 | isotropic | sample_conditions_1 |
| HMCM[CGCBCA]CO | sample_1 | isotropic | sample_conditions_1 |
| HMCM[CBCA]CO | sample_1 | isotropic | sample_conditions_1 |
| Methyl-Methyl HMQC-NOESY-HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Varian DD2 800 MHz
- Varian INOVA 600 MHz