BMRB Entry 7401
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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/BMR7401
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Title: Full-sequence computational design and solution structure of a thermostable protein variant PubMed: 17628593
Deposition date: 2007-08-30 Original release date: 2007-10-15
Authors: Shah, P.; Hom, G.; Ross, S.; Lassila, J.; Crowhurst, K.; Mayo, S.
Citation: Shah, P.; Hom, G.; Ross, S.; Lassila, J.; Crowhurst, K.; Mayo, S.. "Full-sequence Computational Design and Solution Structure of a Thermostable Protein Variant" J. Mol. Biol. 372, 1-6 (2007).
Assembly members:
designed_engrailed_homeodomain_variant_UVF, polymer, 52 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not applicable
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
designed_engrailed_homeodomain_variant_UVF: MKQWSENVEEKLKEFVKRHQ
RITQEELHQYAQRLGLNEEA
IRQFFEEFEQRK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 512 |
| 15N chemical shifts | 132 |
| 1H chemical shifts | 745 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | designed engrailed homeodomain variant UVF | 1 |
Entities:
Entity 1, designed engrailed homeodomain variant UVF 52 residues - Formula weight is not available
| 1 | MET | LYS | GLN | TRP | SER | GLU | ASN | VAL | GLU | GLU | ||||
| 2 | LYS | LEU | LYS | GLU | PHE | VAL | LYS | ARG | HIS | GLN | ||||
| 3 | ARG | ILE | THR | GLN | GLU | GLU | LEU | HIS | GLN | TYR | ||||
| 4 | ALA | GLN | ARG | LEU | GLY | LEU | ASN | GLU | GLU | ALA | ||||
| 5 | ILE | ARG | GLN | PHE | PHE | GLU | GLU | PHE | GLU | GLN | ||||
| 6 | ARG | LYS |
Samples:
sample_1: designed engrailed homeodomain variant UVF, [U-13C; U-15N], 1.0 mM; sodium phosphate 50 mM; H2O 95%; D2O 5%
sample_2: designed engrailed homeodomain variant UVF, [U-15N], 1.0 mM; sodium phosphate 50 mM; H2O 95%; D2O 5%
sample_3: designed engrailed homeodomain variant UVF, [U-13C; U-15N], 1.0 mM; sodium phosphate 50 mM; D2O 100%
sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| aliphatic 3D_13C-separated_NOESY | sample_1 | isotropic | sample_conditions_1 |
| aromatic 3D_13C-separated_NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D_15N-separated_NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR v6.1C, varian - collection
NMRPipe, Delaglio, F. et al. - processing
NMRView v4.0, Johnson, B.A. et al. - data analysis
ARIA v1.2, Nilges, M. et al. - refinement, structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB |