BMRB Entry 19585
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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/BMR19585
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Title: Solution structure of a computational designed dimer based on the engrailed homeodomain structure
Deposition date: 2013-10-26 Original release date: 2015-04-07
Authors: Mou, Yun; Huang, Po-Ssu; Hsu, Fang-Ciao; Huang, Shing-Jong; Mayo, Stephen
Citation: Mou, Yun; Huang, Po-Ssu; Hsu, Fang-Ciao; Huang, Shing-Jong; Mayo, Stephen. "Computational design and experimental verification of a symmetric homodimer" Proc. Natl. Acad. Sci. U.S.A. ., .-..
Assembly members:
entity, polymer, 66 residues, 8446.623 Da.
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MEKRPRTEFSEEQKKALDLA
FYFDRRLTPEWRRYLSQRLG
LNEEQIERWFRRKEQQIGWS
HPQFEK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 260 |
| 15N chemical shifts | 63 |
| 1H chemical shifts | 414 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 1 |
Entities:
Entity 1, entity_1 66 residues - 8446.623 Da.
| 1 | MET | GLU | LYS | ARG | PRO | ARG | THR | GLU | PHE | SER | ||||
| 2 | GLU | GLU | GLN | LYS | LYS | ALA | LEU | ASP | LEU | ALA | ||||
| 3 | PHE | TYR | PHE | ASP | ARG | ARG | LEU | THR | PRO | GLU | ||||
| 4 | TRP | ARG | ARG | TYR | LEU | SER | GLN | ARG | LEU | GLY | ||||
| 5 | LEU | ASN | GLU | GLU | GLN | ILE | GLU | ARG | TRP | PHE | ||||
| 6 | ARG | ARG | LYS | GLU | GLN | GLN | ILE | GLY | TRP | SER | ||||
| 7 | HIS | PRO | GLN | PHE | GLU | LYS |
Samples:
sample_1: entity, [U-100% 13C; U-100% 15N], 1.9 mg/mL; sodium chloride 100 mM; DTT 10 mM; sodium azide 0.02%; calcium chloride 5 mM; ammonium acetate 20 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0.1 M; pH: 4.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O, . - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB |
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