BMRB Entry 25605
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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/BMR25605
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Title: NMR solution structure of HsAFP1 PubMed: 26248029
Deposition date: 2015-05-12 Original release date: 2015-07-20
Authors: Harvey, Peta; Craik, David; Vriens, Kim
Citation: Vriens, Kim; Cools, Tanne; Harvey, Peta; Craik, David; Spincemaille, Pieter; Cassiman, David; Braem, Annabel; Vleugels, Jozef; Nibbering, Peter; Drijfhout, Jan; Coninck, Barbara; Cammue, Bruno; Thevissen, Karin. "Synergistic activity of the plant defensins HsAFP1 and caspofungin against Candida albicans biofilms and planktonic cultures" PLOS One 10, e0132701-e0132701 (2015).
Assembly members:
entity, polymer, 54 residues, 5958.770 Da.
Natural source: Common Name: coralbells Taxonomy ID: 43368 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Heuchera sanguinea
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
entity: DGVKLCDVPSGTWSGHCGSS
SKCSQQCKDREHFAYGGACH
YQFPSVKCFCKRQC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 99 |
| 15N chemical shifts | 39 |
| 1H chemical shifts | 337 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 54 residues - 5958.770 Da.
| 1 | ASP | GLY | VAL | LYS | LEU | CYS | ASP | VAL | PRO | SER | ||||
| 2 | GLY | THR | TRP | SER | GLY | HIS | CYS | GLY | SER | SER | ||||
| 3 | SER | LYS | CYS | SER | GLN | GLN | CYS | LYS | ASP | ARG | ||||
| 4 | GLU | HIS | PHE | ALA | TYR | GLY | GLY | ALA | CYS | HIS | ||||
| 5 | TYR | GLN | PHE | PRO | SER | VAL | LYS | CYS | PHE | CYS | ||||
| 6 | LYS | ARG | GLN | CYS |
Samples:
sample_1: entity 1 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: entity 1 mM; D2O, [U-2H], 100%
sample_conditions_1: pH: 4; 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 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D E-COSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
CCPNmr, CCPN - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - refinement
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts