BMRB Entry 11605
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR11605
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Title: Solution structure of the chromodomain of HP1alpha with the phosphorylated N-terminal tail PubMed: 26934956
Deposition date: 2015-12-18 Original release date: 2021-07-16
Authors: Kawaguchi, Ayumi; Nishimura, Yoshifumi
Citation: Shimojo, Hideaki; Kawaguchi, Ayumi; Oda, Takashi; Hashiguchi, Nobuto; Omori, Satoshi; Moritsugu, Kei; Kidera, Akinori; Hiragami-Hamada, Kyoko; Nakayama, Jun-Ichi; Sato, Mamoru; Nishimura, Yoshifumi. "Extended string-like binding of the phosphorylated HP1? N-terminal tail to the lysine 9-methylated histone H3 tail" Sci. Rep. 6, 22527-22527 (2016).
Assembly members:
entity, polymer, 83 residues, 10169.125 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pCold
Entity Sequences (FASTA):
entity: GSHMGKKTKRTADXXXXEDE
EEYVVEKVLDRRMVKGQVEY
LLKWKGFSEEHNTWEPEKNL
DCPELISEFMKKYKKMKEGE
NNK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 374 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 570 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 83 residues - 10169.125 Da.
| 1 | GLY | SER | HIS | MET | GLY | LYS | LYS | THR | LYS | ARG | ||||
| 2 | THR | ALA | ASP | SEP | SEP | SEP | SEP | GLU | ASP | GLU | ||||
| 3 | GLU | GLU | TYR | VAL | VAL | GLU | LYS | VAL | LEU | ASP | ||||
| 4 | ARG | ARG | MET | VAL | LYS | GLY | GLN | VAL | GLU | TYR | ||||
| 5 | LEU | LEU | LYS | TRP | LYS | GLY | PHE | SER | GLU | GLU | ||||
| 6 | HIS | ASN | THR | TRP | GLU | PRO | GLU | LYS | ASN | LEU | ||||
| 7 | ASP | CYS | PRO | GLU | LEU | ILE | SER | GLU | PHE | MET | ||||
| 8 | LYS | LYS | TYR | LYS | LYS | MET | LYS | GLU | GLY | GLU | ||||
| 9 | ASN | ASN | LYS |
Samples:
sample_1: HP1alpha, [U-99% 13C; U-99% 15N], mM; potassium phosphate 20 mM; sodium chloride 10 mM; DTT 5 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: HP1alpha, [U-99% 13C; U-99% 15N], mM; potassium phosphate 20 mM; sodium chloride 10 mM; DTT 5 mM; D2O, [U-2H], 100%
sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | 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 HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Olivia, Yokochi, M., Sekiguchi, S. and Inagaki, F. - chemical shift assignment
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 700 MHz
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts