BMRB Entry 16605
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16605
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Poillot, Cathy; Dridi, Kaouthar; Bichraoui, Hicham; Pecher, Julien; Alphonse, Sebastien; Douzi, Badreddine; Ronjat, Michel; Darbon, Herve; De Waard, Michel. "D-Maurocalcine, a pharmacologically inert efficient cell-penetrating peptide analogue." J. Biol. Chem. 285, 34168-34180 (2010).
PubMed: 20610396
Assembly members:
D-MAUROCALCINE, polymer, 33 residues, 3876.699 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: chemical synthesis
Entity Sequences (FASTA):
D-MAUROCALCINE: GDCLPHLKLCKENKDCCSKK
CKRRGTNIEKRCR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 250 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | D-MAUROCALCINE | 1 |
Entities:
Entity 1, D-MAUROCALCINE 33 residues - 3876.699 Da.
| 1 | GLY | ASP | CYS | LEU | PRO | HIS | LEU | LYS | LEU | CYS | ||||
| 2 | LYS | GLU | ASN | LYS | ASP | CYS | CYS | SER | LYS | LYS | ||||
| 3 | CYS | LYS | ARG | ARG | GLY | THR | ASN | ILE | GLU | LYS | ||||
| 4 | ARG | CYS | ARG |
Samples:
sample_1: D-MAUROCALCINE 4 mg; H2O 90%; D2O 10%
sample_2: D-MAUROCALCINE 4 mg; D2O 100%
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 300 K
sample_conditions_2: pH: 7; pressure: 1 atm; temperature: 300 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-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
X-PLOR NIH v2.21, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMRView v5.2.2.01, Johnson, One Moon Scientific - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN v2.0, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 500 MHz