BMRB Entry 19070
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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/BMR19070
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Title: SOLUTION STRUCTURE OF LIPIDATED GLUCAGON ANALOG IN WATER PubMed: 24327962
Deposition date: 2013-03-03 Original release date: 2013-03-25
Authors: Ward, B.; Ma, D.
Citation: Ward, Brian; Ottaway, Nickki; Perez-Tilve, Diego; Ma, Dejian; Gelfanov, Vasily; Tschop, Matthias; Dimarchi, Richard. "Peptide lipidation stabilizes structure to enhance biological function." Mol Metab 2, 468-479 (2013).
Assembly members:
GLUCAGON_AIB2-16_LYS13-GAMMAGLU-GAMMAGLU-C16_AMIDE, polymer, 30 residues, 4269.445 Da.
entity_GGL, non-polymer, 147.129 Da.
entity_PLM, non-polymer, 256.424 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):
GLUCAGON_AIB2-16_LYS13-GAMMAGLU-GAMMAGLU-C16_AMIDE: HXQGTFTSDYSKKLDXRRAQ
DFVQWLMNTX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 219 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GLUCAGON AIB2,16 LYS13-GAMMAGLU-GAMMAGLU-C16 AMIDE | 1 |
| 2 | GGL, 1 | 2 |
| 3 | GGL, 2 | 2 |
| 4 | PLM | 3 |
Entities:
Entity 1, GLUCAGON AIB2,16 LYS13-GAMMAGLU-GAMMAGLU-C16 AMIDE 30 residues - 4269.445 Da.
| 1 | HIS | AIB | GLN | GLY | THR | PHE | THR | SER | ASP | TYR | |
| 2 | SER | LYS | LYS | LEU | ASP | AIB | ARG | ARG | ALA | GLN | |
| 3 | ASP | PHE | VAL | GLN | TRP | LEU | MET | ASN | THR | NH2 |
Entity 2, GGL, 1 - C5 H9 N O4 - 147.129 Da.
| 1 | GGL |
Entity 3, PLM - C16 H32 O2 - 256.424 Da.
| 1 | PLM |
Samples:
sample_1: GLUCAGON AIB2,16 LYS13-GAMMAGLU-GAMMAGLU-C16 AMIDE 0.7 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 0.02 M; pH: 4.7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, BRUNGER - refinement
NMR spectrometers:
- Varian Uniform NMR System 800 MHz