BMRB Entry 51867
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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/BMR51867
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: Suladze, Saba; Sarkar, Riddhiman; Rodina, Natalia; Bokvist, Krister; Krewinkel, Manuel; Scheps, Daniel; Nagel, Norbert; Bardiaux, Benjamin; Reif, Bernd. "Atomic resolution structure of full-length human insulin fibrils" Proc. Natl. Acad. Sci. U. S. A. 121, e2401458121-e2401458121 (2024).
PubMed: 38809711
Assembly members:
entity_1, polymer, 21 residues, 2383.700 Da.
entity_2, polymer, 30 residues, 3433.981 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pbr322
Entity Sequences (FASTA):
entity_1: GIVEQCCTSICSLYQLENYC
N
entity_2: FVNQHLCGSHLVEALYLVCG
ERGFFYTPKT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 181 |
| 15N chemical shifts | 40 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Human insulin, Chain A | 1 |
| 2 | Human insulin, Chain B | 2 |
Entities:
Entity 1, Human insulin, Chain A 21 residues - 2383.700 Da.
| 1 | GLY | ILE | VAL | GLU | GLN | CYS | CYS | THR | SER | ILE | ||||
| 2 | CYS | SER | LEU | TYR | GLN | LEU | GLU | ASN | TYR | CYS | ||||
| 3 | ASN |
Entity 2, Human insulin, Chain B 30 residues - 3433.981 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 | THR |
Samples:
sample_1: Human insulin, Chain A, [U-100% 15N], 92.5 mM; Human insulin, Chain B, [U-100% 15N], 92.5 mM
sample_conditions_1: ionic strength: 0.01 M; pH: 1.9; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DARR | sample_1 | isotropic | sample_conditions_1 |
| 3D NCACX | sample_1 | isotropic | sample_conditions_1 |
| 3D NCOCX | sample_1 | isotropic | sample_conditions_1 |
| 3D CONCA | sample_1 | isotropic | sample_conditions_1 |
| 3D NCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR v2.4.2 - chemical shift assignment
NMR spectrometers:
- Bruker Avance 750 MHz