BMRB Entry 18714
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18714
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Title: Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
Deposition date: 2012-09-14 Original release date: 2012-11-12
Authors: Xu, Xianzhong; Eletsky, Alexander; Mills, Jeffrey; Pulavarti, Surya; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas
Citation: Xu, Xianzhong; Eletsky, Alexander; Mills, Jeffrey; Pulavarti, Surya; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F" To be published ., .-..
Assembly members:
HR7907F, polymer, 74 residues, 8710.092 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):
HR7907F: SHMPDSFGIRAKKTKEQLAE
LKVSYLKNQFPHDSEIIRLM
KITGLTKGEIKKWFSDTRYN
QRNSKSNQCLHLNN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 332 |
| 15N chemical shifts | 83 |
| 1H chemical shifts | 537 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HR7907F | 1 |
Entities:
Entity 1, HR7907F 74 residues - 8710.092 Da.
Residues 4-74 correspond to residues 462-532 of the native protein. Residues 1-3 represent the remainder of the affinity tag.
| 1 | SER | HIS | MET | PRO | ASP | SER | PHE | GLY | ILE | ARG | ||||
| 2 | ALA | LYS | LYS | THR | LYS | GLU | GLN | LEU | ALA | GLU | ||||
| 3 | LEU | LYS | VAL | SER | TYR | LEU | LYS | ASN | GLN | PHE | ||||
| 4 | PRO | HIS | ASP | SER | GLU | ILE | ILE | ARG | LEU | MET | ||||
| 5 | LYS | ILE | THR | GLY | LEU | THR | LYS | GLY | GLU | ILE | ||||
| 6 | LYS | LYS | TRP | PHE | SER | ASP | THR | ARG | TYR | ASN | ||||
| 7 | GLN | ARG | ASN | SER | LYS | SER | ASN | GLN | CYS | LEU | ||||
| 8 | HIS | LEU | ASN | ASN |
Samples:
NC: HR7907F, [U-100% 13C; U-100% 15N], 0.4 mM; sodium azide 0.02%; DTT 10 mM; calcium chloride 5 mM; sodium chloride 100 mM; Proteinase Inhibitors 1 x; MES 20 mM; DSS 50 uM; H2O 90%; D2O 10%
NC5: HR7907F, [5% 13C; U-100% 15N], 0.3 mM; sodium azide 0.02%; DTT 10 mM; calcium chloride 5 mM; sodium chloride 100 mM; Proteinase Inhibitors 1 x; MES 20 mM; DSS 50 uM; H2O 90%; D2O 10%
Conditions_1: pH: 6.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | NC | isotropic | Conditions_1 |
| 2D 1H-13C HSQC | NC | isotropic | Conditions_1 |
| 3D HNCO | NC | isotropic | Conditions_1 |
| (4,3)D GFT CABCA(CO)NHN | NC | isotropic | Conditions_1 |
| (4,3)D GFT HNNCABCA | NC | isotropic | Conditions_1 |
| 2D 1H-13C HSQC | NC5 | isotropic | Conditions_1 |
| (4,3)D GFT HCCH-COSY alipahtic | NC | isotropic | Conditions_1 |
| 3D (H)CCH-TOCSY aliphatic | NC | isotropic | Conditions_1 |
| 3D 13C/15N-edited NOESY | NC | isotropic | Conditions_1 |
| (4,3)D GFT HABCAB(CO)NH | NC | isotropic | Conditions_1 |
| 3D (H)CCH-COSY aromatic | NC | isotropic | Conditions_1 |
Software:
CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, peak picking
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution
AS-DP v1.0, Huang, Tejero, Powers and Montelione - data analysis,refinement
AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment
XEASY, Bartels et al. - data analysis
VNMRJ, Varian - collection
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
PSVS, Bhattacharya, Montelione - structure validation
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts