BMRB Entry 18345
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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/BMR18345
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Title: Solution structure of the anti-fungal defensin DEF4 (MTR_8g070770) from Medicago truncatula (barrel clover)
Deposition date: 2012-03-21 Original release date: 2012-04-30
Authors: Buchko, Garry; Smith, Thomas; Shah, Dilip
Citation: Smith, Thomas; Buchko, Garry; Shah, Dilip. "Structure-function analysis of the plant defensin DEF4 from Medicago truncatula (barrel clover)" Not known ., .-..
Assembly members:
entity, polymer, 47 residues, 5355.107 Da.
Natural source: Common Name: barrel medic Taxonomy ID: 3880 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Medicago truncatula
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
entity: RTCESQSHKFKGPCASDHNC
ASVCQTERFSGGRCRGFRRR
CFCTTHC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 22 |
| 15N chemical shifts | 48 |
| 1H chemical shifts | 254 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | anti-fungal defensin DEF4 (MTR_8g070770) | 1 |
Entities:
Entity 1, anti-fungal defensin DEF4 (MTR_8g070770) 47 residues - 5355.107 Da.
| 1 | ARG | THR | CYS | GLU | SER | GLN | SER | HIS | LYS | PHE | ||||
| 2 | LYS | GLY | PRO | CYS | ALA | SER | ASP | HIS | ASN | CYS | ||||
| 3 | ALA | SER | VAL | CYS | GLN | THR | GLU | ARG | PHE | SER | ||||
| 4 | GLY | GLY | ARG | CYS | ARG | GLY | PHE | ARG | ARG | ARG | ||||
| 5 | CYS | PHE | CYS | THR | THR | HIS | CYS |
Samples:
sample_1: entity, [U-99% 15N], 1 ± 0.2 mM; TRIS 0.01 ± 0.002 mM; H2O 93%; D2O 7%
sample_2: entity 1 ± 0.2 mM; TRIS 0.01 ± 0.002 mM; H2O 93%; D2O 7%
sample_3: entity, [U-99% 15N], 1 ± 0.2 mM; TRIS 0.01 ± 0.002 mM; D2O 100%
sample_conditions_1: ionic strength: 0.01 M; pH: 4.4; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| deuterium exchange | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.115, Goddard - data analysis, peak picking
FELIX v2007, Accelrys Software Inc. - processing
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
PSVS v1.3, Bhattacharya and Montelione - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian VNMRS 750 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts