BMRB Entry 17731
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17731
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Title: Structural Plasticity of Paneth cell alpha-Defensins: Characterization of Salt-Bridge Deficient Analogues of Mouse Cryptdin-4 PubMed: 22286872
Deposition date: 2011-06-24 Original release date: 2012-05-09
Authors: Rosengren, K. Johan; Andersson, Hakan; Haugaard-Kedstrom, Linda; Bengtsson, Elina; Daly, Norelle; Craik, David
Citation: Andersson, Hakan; Figueredo, Sharel; Haugaard-Kedstrom, Linda; Bengtsson, Elina; Daly, Norelle; Qu, Xiaoqing; Craik, David; Ouellette, Andre; Rosengren, K. Johan. "The -defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance." Amino Acids 43, 1471-1483 (2012).
Assembly members:
entity, polymer, 32 residues, 3699.551 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GLLCYCRKGHCKRGGRVRGT
CGIRFLYCCPRR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 205 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | (E15G)-Crp4 | 1 |
Entities:
Entity 1, (E15G)-Crp4 32 residues - 3699.551 Da.
| 1 | GLY | LEU | LEU | CYS | TYR | CYS | ARG | LYS | GLY | HIS | ||||
| 2 | CYS | LYS | ARG | GLY | GLY | ARG | VAL | ARG | GLY | THR | ||||
| 3 | CYS | GLY | ILE | ARG | PHE | LEU | TYR | CYS | CYS | PRO | ||||
| 4 | ARG | ARG |
Samples:
sample_1: (E15G)-Crp4 0.3 mg; H2O 90%; D2O 10%
sample_conditions_1: pH: 4; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
- Bruker Avance 900 MHz
Related Database Links:
| PDB |