BMRB Entry 6815
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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/BMR6815
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Title: NMR structure of Retrocyclin-2 in SDS PubMed: 17685559
Deposition date: 2005-09-09 Original release date: 2008-06-24
Authors: Daly, N.; Chen, Y.-K.; Rosengren, K.; Marx, U.; Phillips, M.; Waring, A.; Wang, W.; Lehrer, R.; Craik, D.
Citation: Daly, N.; Chen, Y.-K.; Rosengren, K.; Marx, U.; Phillips, M.; Waring, A.; Wang, W.; Lehrer, R.; Craik, D.. "Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin" Biochemistry 46, 9920-9928 (2007).
Assembly members:
Retrocyclin-2, polymer, 18 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapien
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Retrocyclin-2: RRICRCICGRGICRCICG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 89 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Retrocyclin-2 | 1 |
Entities:
Entity 1, Retrocyclin-2 18 residues - Formula weight is not available
| 1 | ARG | ARG | ILE | CYS | ARG | CYS | ILE | CYS | GLY | ARG | ||||
| 2 | GLY | ILE | CYS | ARG | CYS | ILE | CYS | GLY |
Samples:
sample_1: Retrocyclin-2 0.6 mM; SDS 100 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 1 M; pH: 3.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| E-COSY | not available | not available | not available |
Software:
xwinnmr v3.5 - collection
XEASY v1.3.7 - data analysis
DYANA v1.5 - structure solution
CNS v1.1 - refinement, structure solution
NMR spectrometers:
- Bruker AVANCE 600 MHz