BMRB Entry 34911
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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/BMR34911
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Kovacs, B.; Geudens, N.; Martins, J.. "NMR structure of MDN-0066 in micellar DPC solution" To be published ., .-..
Assembly members:
entity_1, polymer, 9 residues, 1071.348 Da.
Natural source: Common Name: Pseudomonas azadiae Taxonomy ID: 2843612 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas azadiae
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
entity_1: XXXXLXXLI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 33 |
| 1H chemical shifts | 73 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 9 residues - 1071.348 Da.
| 1 | IG8 | DLE | DGL | 2TL | LEU | DLE | DSN | LEU | ILE |
Samples:
sample_1: MDN-0066 1.5 ± 0.05 mM; DPC, [U-2H], 104.3 ± 0.05 mM
sample_conditions_1: ionic strength: 26 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
AmberTools, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - data analysis
TopSpin v3.x, Bruker Biospin - collection, processing
CcpNmr Analysis, Vuister et al. - chemical shift assignment, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMR spectrometers:
- Bruker AVACE II 700 MHz