BMRB Entry 50529
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50529
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Title: Resonance assignment of the designed MASP2 inhibitor SFMI2 PubMed: 35378038
Deposition date: 2020-10-27 Original release date: 2022-10-14
Authors: Angyan, Annamaria; Mezo, Gabor; Perczel, Andras; Gaspari, Zoltan; Pal, Gabor
Citation: Durvanger, Zsolt; Boros, Eszter; Nagy, Zoltan Attila; Hegedus, Rozsa; Megyeri, Marton; Dobo, Jozsef; Gal, Peter; Schlosser, Gitta; angyan, Annamaria; Gaspari, Zoltan; Perczel, Andras; Harmat, Veronika; Mezo, Gabor; Menyhard, Dora; Pal, Gabor. "Directed Evolution-Driven Increase of Structural Plasticity Is a Prerequisite for Binding the Complement Lectin Pathway Blocking MASP-Inhibitor Peptides" ACS Chem. Biol. 17, 969-986 (2022).
Assembly members:
entity_1, polymer, 14 residues, Formula weight is not available
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):
entity_1: GYCSRSYPPVCIPD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SFMI2 | 1 |
Entities:
Entity 1, SFMI2 14 residues - Formula weight is not available
| 1 | GLY | TYR | CYS | SER | ARG | SER | TYR | PRO | PRO | VAL | ||||
| 2 | CYS | ILE | PRO | ASP |
Samples:
sample_1: SFMI2 2.5 mM
sample_conditions_1: pH: 3.04; pressure: 1 atm; temperature: 300 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:
SPARKY v3.1 - chemical shift assignment
NMR spectrometers:
- Bruker Avance 500 MHz