BMRB Entry 36417
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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/BMR36417
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Mukherjee, Meghomukta; Das, Debajyoti; Sarkar, Jit; Banerjee, Nilanjan; Jana, Jagannath; Bhat, Jyotsna; Reddy G, Jithender; Bharatam, Jagadeesh; Chattopadhyay, Samit; Chatterjee, Subhrangsu; Chakrabarti, Partha. "Prion-derived tetrapeptide stabilizes thermolabile insulin via conformational trapping" iScience 24, 102573-102573 (2021).
PubMed: 34142060
Assembly members:
entity_1, polymer, 21 residues, 2339.645 Da.
entity_2, polymer, 30 residues, 3403.927 Da.
entity_3, polymer, 4 residues, 600.687 Da.
Natural source: Common Name: Bovine Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GIVEQCCASVCSLYQLENYC
N
entity_2: FVNQHLCGSHLVEALYLVCG
ERGFFYTPKA
entity_3: VYYR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 316 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 2 |
| 3 | unit_3 | 3 |
Entities:
Entity 1, unit_1 21 residues - 2339.645 Da.
| 1 | GLY | ILE | VAL | GLU | GLN | CYS | CYS | ALA | SER | VAL | ||||
| 2 | CYS | SER | LEU | TYR | GLN | LEU | GLU | ASN | TYR | CYS | ||||
| 3 | ASN |
Entity 2, unit_2 30 residues - 3403.927 Da.
| 1 | PHE | VAL | ASN | GLN | HIS | LEU | CYS | GLY | SER | HIS | |
| 2 | LEU | VAL | GLU | ALA | LEU | TYR | LEU | VAL | CYS | GLY | |
| 3 | GLU | ARG | GLY | PHE | PHE | TYR | THR | PRO | LYS | ALA |
Entity 3, unit_3 4 residues - 600.687 Da.
| 1 | VAL | TYR | TYR | ARG |
Samples:
sample_1: Bovine Insulin, Proton, 1 mM; Peptide, Proton-15N, 13C, 1 mM; Citrate-Phoshate 1 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 1 mM; pH: 2.6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRFAM-SPARKY, Lee W, Tonelli M, Markley JL - structure calculation
TopSpin, Bruker Biospin - chemical shift assignment
TopSpin v3.1, Bruker Biospin - refinement
NMR spectrometers:
- Bruker AVANCE III 500 MHz
- Bruker AVANCE III 700 MHz