BMRB Entry 18920
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18920
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Title: Solution structure of Entamoeba histolytica HP1 chromodomain
Deposition date: 2012-12-28 Original release date: 2014-05-12
Authors: Wiggins, Kimberly; Ren, Xiaobai; Khorasanizadeh, Sepideh
Citation: Ali, Ibne; Wiggins, Kimberly; Ren, Xiaobai; Sherman, Nick; Petri, William; Khorasanizadeh, Sepideh. "Characterization of putative readers of epigenetic methyl-marks from Entamoeba histolytica" Not known ., .-..
Assembly members:
entity, polymer, 67 residues, 8223.235 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MHHHHHHEVPQTFEVERIVR
KKIVHGNTSYLVKWKNYSSK
DNTWETEDDIRTKYGDLVDD
FEKNQKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 234 |
| 15N chemical shifts | 65 |
| 1H chemical shifts | 340 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Entamoeba histolytica HP1 chromodomain | 1 |
Entities:
Entity 1, Entamoeba histolytica HP1 chromodomain 67 residues - 8223.235 Da.
| 1 | MET | HIS | HIS | HIS | HIS | HIS | HIS | GLU | VAL | PRO | ||||
| 2 | GLN | THR | PHE | GLU | VAL | GLU | ARG | ILE | VAL | ARG | ||||
| 3 | LYS | LYS | ILE | VAL | HIS | GLY | ASN | THR | SER | TYR | ||||
| 4 | LEU | VAL | LYS | TRP | LYS | ASN | TYR | SER | SER | LYS | ||||
| 5 | ASP | ASN | THR | TRP | GLU | THR | GLU | ASP | ASP | ILE | ||||
| 6 | ARG | THR | LYS | TYR | GLY | ASP | LEU | VAL | ASP | ASP | ||||
| 7 | PHE | GLU | LYS | ASN | GLN | LYS | LYS |
Samples:
sample_1: entity, [U-15N], mM; sodium phosphate 50 mM; sodium chloride 25 mM; DTT 1 mM; D2O, [U-100% 2H], 5%
sample_2: entity, [U-13C; U-15N], mM; sodium phosphate 50 mM; sodium chloride 25 mM; DTT 1 mM; D2O, [U-100% 2H], 5%
sample_conditions_1: ionic strength: 75 mM; pH: 6.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
TOPSPIN, Bruker Biospin - collection
CYANA, Guntert, Mumenthaler and Wuthrich - data analysis, refinement, structure solution
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts