BMRB Entry 26978
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26978
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Title: MeCP2 bound to methylated DNA PubMed: 28450074
Deposition date: 2016-12-20 Original release date: 2017-05-23
Authors: Sperlazza, M. Jeannette; David, Williams
Citation: Sperlazza, M. Jeannette; Bilinovich, Stephanie; Sinanan, Leander; Javier, Fatima; Williams, David. "Structural Basis of MeCP2 Distribution on Non-CpG Methylated and Hydroxymethylated DNA" J. Mol. Biol. 429, 1581-1594 (2017).
Assembly members:
MeCP2_MBD, polymer, 89 residues, Formula weight is not available
BDNF_DNA, polymer, 19 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
MeCP2_MBD: MASASPKQRRSIIRDRGPMY
DDPTLPEGWTRKLKQRKSGR
SAGKYDVYLINPQGKAFRSK
VELIAYFEKVGDTSLDPNDF
DFTVTGRGS
BDNF_DNA: TAGAAGAATTCXGTTCCAG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 266 |
| 15N chemical shifts | 72 |
| 1H chemical shifts | 305 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MeCP2 | 1 |
| 2 | DNA, chain 1 | 2 |
| 3 | DNA, chain 2 | 2 |
Entities:
Entity 1, MeCP2 89 residues - Formula weight is not available
| 1 | MET | ALA | SER | ALA | SER | PRO | LYS | GLN | ARG | ARG | ||||
| 2 | SER | ILE | ILE | ARG | ASP | ARG | GLY | PRO | MET | TYR | ||||
| 3 | ASP | ASP | PRO | THR | LEU | PRO | GLU | GLY | TRP | THR | ||||
| 4 | ARG | LYS | LEU | LYS | GLN | ARG | LYS | SER | GLY | ARG | ||||
| 5 | SER | ALA | GLY | LYS | TYR | ASP | VAL | TYR | LEU | ILE | ||||
| 6 | ASN | PRO | GLN | GLY | LYS | ALA | PHE | ARG | SER | LYS | ||||
| 7 | VAL | GLU | LEU | ILE | ALA | TYR | PHE | GLU | LYS | VAL | ||||
| 8 | GLY | ASP | THR | SER | LEU | ASP | PRO | ASN | ASP | PHE | ||||
| 9 | ASP | PHE | THR | VAL | THR | GLY | ARG | GLY | SER |
Entity 2, DNA, chain 1 19 residues - Formula weight is not available
double stranded DNA X = methyl-cytosine
| 1 | DT | DA | DG | DA | DA | DG | DA | DA | DT | DT | ||||
| 2 | DC | 1MC | DG | DT | DT | DC | DC | DA | DG |
Samples:
sample_1: MeCP2 MBD, [U-99% 13C; U-99% 15N], 0.75 mM; BDNF DNA 0.75 mM; sodium phosphate 10 mM; sodium azide 0.02 % w/v; DTT 1 mM
sample_conditions_1: ionic strength: 25 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CcpNMR, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts