BMRB Entry 18536
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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/BMR18536
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Title: KB1[GHRW;23-28] PubMed: 23012369
Deposition date: 2012-06-20 Original release date: 2012-08-28
Authors: Daly, Norelle; Eliasen, Rasmus; Craik, David
Citation: Eliasen, Rasmus; Daly, Norelle; Wulff, Birgitte; Andresen, Thomas; Conde-Frieboes, Kilian; Craik, David. "Design, synthesis, structural and functional characterization of novel melanocortin agonists based on the cyclotide kalata B1." J. Biol. Chem. 287, 40493-40501 (2012).
Assembly members:
entity, polymer, 29 residues, 3020.448 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):
entity: CGETCVGGTCNTPGCTCSWP
VCGHFRWGV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 156 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | KB1[GHRW; 23-28] | 1 |
Entities:
Entity 1, KB1[GHRW; 23-28] 29 residues - 3020.448 Da.
| 1 | CYS | GLY | GLU | THR | CYS | VAL | GLY | GLY | THR | CYS | ||||
| 2 | ASN | THR | PRO | GLY | CYS | THR | CYS | SER | TRP | PRO | ||||
| 3 | VAL | CYS | GLY | HIS | PHE | ARG | TRP | GLY | VAL |
Samples:
sample_1: entity 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 M; pH: 3; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
CcpNMR, University of Cambridge - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz