BMRB Entry 19049
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19049
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Title: Solution structure of chicken Engrailed 2 homeodomain PubMed: 23931315
Deposition date: 2013-02-21 Original release date: 2013-08-14
Authors: Carlier, Ludovic; Balayssac, Stephane; Cantrelle, Francois-Xavier; Khemtemourian, Lucie; Chassaing, Gerard; Joliot, Alain; Lequin, Olivier
Citation: Carlier, Ludovic; Balayssac, Stephane; Cantrelle, Francois-Xavier; Khemtemourian, Ludovic; Chassaing, Gerard; Joliot, Alain; Lequin, Olivier. "Investigation of homeodomain membrane translocation properties: insights from the structure determination of engrailed-2 homeodomain in aqueous and membrane-mimetic environments" Biophys. J. 105, 667-678 (2013).
Assembly members:
HOMEOBOX_PROTEIN_ENGRAILED-2, polymer, 67 residues, 7857.0148 Da.
Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
HOMEOBOX_PROTEIN_ENGRAILED-2: GPMASDKRPRTAFTAEQLQR
LKAEFQTNRYLTEQRRQSLA
QELGLNESQIKIWFQNKRAK
IKKATQA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 332 |
| 15N chemical shifts | 85 |
| 1H chemical shifts | 410 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HOMEOBOX PROTEIN ENGRAILED-2 | 1 |
Entities:
Entity 1, HOMEOBOX PROTEIN ENGRAILED-2 67 residues - 7857.0148 Da.
| 1 | GLY | PRO | MET | ALA | SER | ASP | LYS | ARG | PRO | ARG | ||||
| 2 | THR | ALA | PHE | THR | ALA | GLU | GLN | LEU | GLN | ARG | ||||
| 3 | LEU | LYS | ALA | GLU | PHE | GLN | THR | ASN | ARG | TYR | ||||
| 4 | LEU | THR | GLU | GLN | ARG | ARG | GLN | SER | LEU | ALA | ||||
| 5 | GLN | GLU | LEU | GLY | LEU | ASN | GLU | SER | GLN | ILE | ||||
| 6 | LYS | ILE | TRP | PHE | GLN | ASN | LYS | ARG | ALA | LYS | ||||
| 7 | ILE | LYS | LYS | ALA | THR | GLN | ALA |
Samples:
sample_1: HOMEOBOX PROTEIN ENGRAILED-2 1 mM; D2O 10%; sodium azide 0.02%; sodium succinate 50 mM; TMSP 0.1 mM; H2O 90%
sample_2: HOMEOBOX PROTEIN ENGRAILED-2, [U-15N], 1 mM; D2O 10%; sodium azide 0.02%; sodium succinate 50 mM; TMSP 0.1 mM; H2O 90%
sample_3: HOMEOBOX PROTEIN ENGRAILED-2, [U-13C; U-15N], 1 mM; D2O 10%; sodium azide 0.02%; sodium succinate 50 mM; TMSP 0.1 mM; H2O 90%
sample_conditions_1: ionic strength: 50.000 mM; pH: 4.700; pressure: 1.000 atm; temperature: 303.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | solution | sample_conditions_1 |
| 3D HNCACB | sample_3 | solution | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_3 | solution | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_3 | solution | sample_conditions_1 |
| 3D HNCA | sample_3 | solution | sample_conditions_1 |
| 3D HN(CO)CA | sample_3 | solution | sample_conditions_1 |
| 3D HNCO | sample_3 | solution | sample_conditions_1 |
| 3D HN(CA)CO | sample_3 | solution | sample_conditions_1 |
| 3D 15N TOCSY-HSQC | sample_2 | solution | sample_conditions_1 |
| 3D HCCH TOCSY | sample_3 | solution | sample_conditions_1 |
| 2D (HB)CB(CGCD)HD | sample_3 | solution | sample_conditions_1 |
| 2D NOESY | sample_1 | solution | sample_conditions_1 |
| 3D 15N NOESY-HSQC | sample_2 | solution | sample_conditions_1 |
| 3D 13C NOESY-HMQC | sample_3 | solution | sample_conditions_1 |
| 3D HNHA | sample_2 | solution | sample_conditions_1 |
| 3D HNHB | sample_2 | solution | sample_conditions_1 |
Software:
AutoDep v4.3, PDBe - collection
DYANA vany, Guntert, Braun and Wuthrich - chemical shift assignment
X-PLOR NIH vany, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment
NMR spectrometers:
- Bruker Avance 500 MHz
Related Database Links:
| UNP | HME2_CHICK |
| BMRB | 17325 |
| PDB | |
| DBJ | BAE34186 |
| EMBL | CAA44724 CAA48254 CAA48491 CAA68362 |
| GB | AAA53438 AAA53504 AAA53527 AAF31303 AAF68670 |
| PRF | 1703276B 1703276F |
| REF | NP_001095261 NP_001102684 NP_001254648 NP_001418 NP_034264 |
| SP | P09015 P09066 P19622 P52730 Q05917 |
| TPG | DAA30339 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts