BMRB Entry 4347
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4347
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Title: 1H Chemical Shift Assignments and Interproton 3JHNHA Coupling Constants of Alpha2-D, a Nativelike de Novo Designed Four Helix Bundle
Deposition date: 1999-05-12 Original release date: 2008-07-17
Authors: Hill, R.; DeGrado, William
Citation: Hill, R.; DeGrado, William. "Solution Structure of Alpha2D, a Nativelike de Novo Designed Protein" J. Am. Chem. Soc. 120, 1138-1145 (1998).
Assembly members:
Alpha2D, polymer, 37 residues, 4289.1 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemically synthesized
Entity Sequences (FASTA):
Alpha2D: XGEVEELEKKFKELWKGPRR
GEIEELHKKFHELIKGX
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 270 |
| coupling constants | 27 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | A2D subunit A | 1 |
| 2 | A2D subunit B | 1 |
Entities:
Entity 1, A2D subunit A 37 residues - 4289.1 Da.
| 1 | ACE | GLY | GLU | VAL | GLU | GLU | LEU | GLU | LYS | LYS | ||||
| 2 | PHE | LYS | GLU | LEU | TRP | LYS | GLY | PRO | ARG | ARG | ||||
| 3 | GLY | GLU | ILE | GLU | GLU | LEU | HIS | LYS | LYS | PHE | ||||
| 4 | HIS | GLU | LEU | ILE | LYS | GLY | NH2 |
Samples:
sample_one: Alpha2D 2.0 mM; Tris, [U-2H], 50 mM; H2O 90%; D2O 10%
sample_conditions_one: ionic strength: .052 M; pH: 7.3 na; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-1H TOCSY | sample_one | not available | sample_conditions_one |
| 1H-1H DQF-COSY | sample_one | not available | sample_conditions_one |
| 1H-1H E-COSY | sample_one | not available | sample_conditions_one |
| 1H-1H 100ms NOESY | sample_one | not available | sample_conditions_one |
| 1H-1H 200ms NOESY | sample_one | not available | sample_conditions_one |
| 1H-13C HMQC | sample_one | not available | sample_conditions_one |
Software:
AZARA - process data
ANSIG v3.3, Per Kraulis - assignments and integration
NMR spectrometers:
- Bruker AMX 600.13 MHz
Related Database Links:
| PDB |