BMRB Entry 25613
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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/BMR25613
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 1.9 PubMed: 26792393
Deposition date: 2015-05-15 Original release date: 2016-02-01
Authors: Veverka, Vaclav; Hexnerova, Rozalie; Jiracek, Jiri
Citation: Vikova, Jitka; Collinsova, Michaela; Kletvikova, Emilia; Budesinsky, Milos; Kaplan, Vojtech; Zakova, Lenka; Veverka, Vaclav; Hexnerova, Rozalie; Terazona Avino, Roberto; Strakova, Jana; Selicharova, Irena; Venek, Vaclav; Wright, Daniel; Watson, Christopher; Turkenburg, Johan; Brzozowski, Andrzej; Jiracek, Jiri. "Rational steering of insulin binding specificity by intra-chain chemical crosslinking." Sci. Rep. 6, 19431-19431 (2016).
Assembly members:
chain_A, polymer, 21 residues, 2383.700 Da.
chain_B, polymer, 30 residues, 3810.370 Da.
Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo Sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
chain_A: GIVEQCCTSICSLYQLENYC
N
chain_B: FVNQHLCGSHLVEALYLVCG
ERGFFXTPXT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 106 |
| 15N chemical shifts | 7 |
| 1H chemical shifts | 346 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | chain_A | 1 |
| 2 | chain_B | 2 |
Entities:
Entity 1, 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, chain_B 30 residues - 3810.370 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 | NVA | THR | PRO | HIX | THR |
Samples:
sample_1: chain_A 1.5 mM; chain_B 1.5 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 1.9; 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:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts