BMRB Entry 30572
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30572
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: Gelenter, M.; Smith, K.; Liao, S.; Mandala, V.; Dregni, A.; Lamm, M.; Tian, Y.; Wei, X.; Pochan, D.; Tucker, T.; Su, Y.; Hong, M.. "The peptide hormone glucagon forms amyloid fibrils with two coexisting beta-strand conformations" Nat. Struc. Mol. Biol. 26, 592-598 (2019).
PubMed: 31235909
Assembly members:
entity_1, polymer, 29 residues, 3486.781 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: HSQGTFTSDYSKYLDSRRAQ
DFVQWLMNT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 306 |
| 15N chemical shifts | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
| 3 | entity_1, 3 | 1 |
| 4 | entity_1, 4 | 1 |
| 5 | entity_1, 5 | 1 |
| 6 | entity_1, 6 | 1 |
| 7 | entity_1, 7 | 1 |
| 8 | entity_1, 8 | 1 |
| 9 | entity_1, 9 | 1 |
| 10 | entity_1, 10 | 1 |
| 11 | entity_1, 11 | 1 |
| 12 | entity_1, 12 | 1 |
| 13 | entity_1, 13 | 1 |
| 14 | entity_1, 14 | 1 |
| 15 | entity_1, 15 | 1 |
| 16 | entity_1, 16 | 1 |
Entities:
Entity 1, entity_1, 1 29 residues - 3486.781 Da.
| 1 | HIS | SER | GLN | GLY | THR | PHE | THR | SER | ASP | TYR | ||||
| 2 | SER | LYS | TYR | LEU | ASP | SER | ARG | ARG | ALA | GLN | ||||
| 3 | ASP | PHE | VAL | GLN | TRP | LEU | MET | ASN | THR |
Samples:
sample_1: Glucagon, {U-13C; U-15N]-G4,S8,L14,A19,V23, 0.1 ± 0.02 mg/uL
sample_2: Glucagon, {U-13C; U-15N]-S2,Q3,G4,T5,Q24,W25,L26,M27,N28, 0.1 ± 0.02 mg/uL
sample_3: Glucagon, {U-13C; U-15N]-T5,F6,T7,S8,D9,Y10,S11,A19,Q20,D21,F22,V23,Q24, 0.1 ± 0.02 mg/uL
sample_4: Glucagon, {U-13C; U-15N]-S11,K12,Y13,L14,D15,S16,R17,R18,A19, 0.1 ± 0.02 mg/uL
sample_conditions_1: ionic strength: 0.01 M; pH: 2.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-13C CORD | sample_1 | isotropic | sample_conditions_1 |
| 2D 13C-13C CORD | sample_2 | isotropic | sample_conditions_1 |
| 2D 15N-13C PERSPIRATION-CP | sample_2 | isotropic | sample_conditions_1 |
| 2D 13C-13C PAR | sample_2 | isotropic | sample_conditions_1 |
| 2D CHHC | sample_2 | isotropic | sample_conditions_1 |
| 2D 15N-13C NCCX | sample_2 | isotropic | sample_conditions_1 |
| 3D 15N-13C-13C NCCX | sample_4 | isotropic | sample_conditions_1 |
| 3D 15N-13C-13C NCACX | sample_3 | isotropic | sample_conditions_1 |
| 3D 15N-13C-13C NCOCX | sample_3 | isotropic | sample_conditions_1 |
| 2D 15N-13C NCA | sample_1 | isotropic | sample_conditions_1 |
| 2D 13C-13C CORD | sample_2 | isotropic | sample_conditions_1 |
| 2D CHHC | sample_4 | isotropic | sample_conditions_1 |
| 2D 13C-13C CORD | sample_4 | isotropic | sample_conditions_1 |
| 2D-13C-13C CORD | sample_4 | isotropic | sample_conditions_1 |
| 2D 13C-13C CORD | sample_3 | isotropic | sample_conditions_1 |
| 2D 13C-13C PDSD | sample_3 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
SPARKY vNMRFAM-SPARKY 1.412, Goddard - chemical shift assignment, peak picking
TOPSPIN v3.5, Bruker Biospin - processing
NMR spectrometers:
- Bruker AvanceII 800 MHz
- Bruker AvanceIII-HD 600 MHz
- Bruker Avance 900 MHz