BMRB Entry 30520
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30520
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: A consensus human beta defensin PubMed: 31325337
Deposition date: 2018-09-22 Original release date: 2019-08-23
Authors: Amero, C.; Villegas-Moreno, J.; Rodriguez, A.
Citation: Rodriguez, A.; Pedersen, M.; Villegas, E.; Rivas-Santiago, B.; Villegas-Moreno, J.; Amero, C.; Norton, R.; Corzo, G.. "Antimicrobial Activity and Structure of a Consensus Human beta-Defensin and Its Comparison to a Novel Putative hBD10" Proteins 88, 175-186 (2020).
Assembly members:
entity_1, polymer, 32 residues, 3743.524 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: KKCWNGGRCRKKCKENEKPI
GYCRNGKKCCVN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 94 |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 206 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 32 residues - 3743.524 Da.
| 1 | LYS | LYS | CYS | TRP | ASN | GLY | GLY | ARG | CYS | ARG | ||||
| 2 | LYS | LYS | CYS | LYS | GLU | ASN | GLU | LYS | PRO | ILE | ||||
| 3 | GLY | TYR | CYS | ARG | ASN | GLY | LYS | LYS | CYS | CYS | ||||
| 4 | VAL | ASN |
Samples:
sample_1: peptide 1.3 mg/mL
sample_conditions_1: ionic strength: 0 Not defined; pH: 5.6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA, Keller and Wuthrich - data analysis
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Bruker AvanceIII 600 MHz
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts