BMRB Entry 18438
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18438
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Title: Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A
Deposition date: 2012-05-03 Original release date: 2012-06-06
Authors: Eletsky, Alexander; Lee, Hsiau-Wei; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Prestegard, James; Szyperski, Thomas
Citation: Eletsky, Alexander; Lee, Hsiau-Wei; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Prestegard, James; Szyperski, Thomas. "Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A" To be published ., .-..
Assembly members:
HR7057A, polymer, 83 residues, 9400.875 Da.
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
Entity Sequences (FASTA):
HR7057A: SHMQPGKYSQLVVETIRRLG
ERNGSSLAKIYTEAKKVPWF
DQQNGRTYLKYSIKALVQND
TLLQVKGTGANGSFKLNRKK
LEG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 372 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 603 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HR7057A | 1 |
Entities:
Entity 1, HR7057A 83 residues - 9400.875 Da.
Residues 4-83 correspond to the 44-123 fragment of the native H1x. Residues 1-3 represent the remainder of the affinity purification tag after TEV cleavage
| 1 | SER | HIS | MET | GLN | PRO | GLY | LYS | TYR | SER | GLN | ||||
| 2 | LEU | VAL | VAL | GLU | THR | ILE | ARG | ARG | LEU | GLY | ||||
| 3 | GLU | ARG | ASN | GLY | SER | SER | LEU | ALA | LYS | ILE | ||||
| 4 | TYR | THR | GLU | ALA | LYS | LYS | VAL | PRO | TRP | PHE | ||||
| 5 | ASP | GLN | GLN | ASN | GLY | ARG | THR | TYR | LEU | LYS | ||||
| 6 | TYR | SER | ILE | LYS | ALA | LEU | VAL | GLN | ASN | ASP | ||||
| 7 | THR | LEU | LEU | GLN | VAL | LYS | GLY | THR | GLY | ALA | ||||
| 8 | ASN | GLY | SER | PHE | LYS | LEU | ASN | ARG | LYS | LYS | ||||
| 9 | LEU | GLU | GLY |
Samples:
HR7057A_NC: HR7057A.011, [U-100% 13C; U-100% 15N], 0.9 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%
HR7057A_NC5: HR7057A.011, [5% 13C; U-100% 15N], 0.6 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%
HR7057A_NC5_PEG: HR7057A.011, [5% 13C; U-100% 15N], 0.3 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; C12E5 PEG 4%; hexanol 4%; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | HR7057A_NC | isotropic | sample_conditions_1 |
| 2D 1H-13C CT-HSQC aliphatic | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D HNCO | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D HNCACB | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY aliphatic | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | HR7057A_NC | isotropic | sample_conditions_1 |
| 2D 1H-13C CT-HSQC aromatic | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D (H)C(CCO)NH-TOCSY | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D H(CCCO)NH-TOCSY | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D HCCH-COSY aliphatic | HR7057A_NC | isotropic | sample_conditions_1 |
| 3D HCCH-COSY aromatic | HR7057A_NC | isotropic | sample_conditions_1 |
| 2D 1H-13C CT-HSQC methyl | HR7057A_NC5 | isotropic | sample_conditions_1 |
| 2D J-resolved 1H-15N HSQC | HR7057A_NC5 | isotropic | sample_conditions_1 |
| 2D J-resolved 1H-15N HSQC | HR7057A_NC5_PEG | anisotropic | sample_conditions_1 |
| 1D 15N T1 | HR7057A_NC | isotropic | sample_conditions_1 |
| 1D 15N T2 | HR7057A_NC | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution, geometry optimization
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement, geometry optimization, structure solution
ASDP v1.0, Huang, Tejero, Powers and Montelione - data analysis, refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY v1.3.13, Bartels et al. - data analysis
VNMRJ v2.2D, Varian - collection
PINE v1.0, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment
SPARKY, Goddard - data analysis
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
PSVS v1.4, Bhattacharya, Montelione - structure validation
CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Varian INOVA 750 MHz
- Varian INOVA 600 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAA11018 BAE90932 |
| GB | AAH00426 AAH10435 EAW79264 EFB22594 ELK15204 |
| REF | NP_001253012 NP_001273421 NP_006017 XP_002697189 XP_002758712 |
| SP | Q92522 |
| TPG | DAA16748 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts