BMRB Entry 18347
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18347
MolProbity Validation Chart
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: 1H chemical shift assignments for micasin PubMed: 22586077
Deposition date: 2012-03-22 Original release date: 2012-05-22
Authors: Harvey, Peta; Craik, David; Zhu, Shunyi
Citation: Zhu, Shunyi; Gao, Bin; Harvey, Peta; Craik, David. "Dermatophytic defensin with antiinfective potential." Proc. Natl. Acad. Sci. U.S.A. 109, 8495-8500 (2012).
Assembly members:
entity, polymer, 38 residues, 4067.714 Da.
Natural source: Common Name: Microsporum canis Taxonomy ID: 63405 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Arthroderma otae
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: GFGCPFNENECHAHCLSIGR
KFGFCAGPLRATCTCGKQ
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 221 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | micasin | 1 |
Entities:
Entity 1, micasin 38 residues - 4067.714 Da.
| 1 | GLY | PHE | GLY | CYS | PRO | PHE | ASN | GLU | ASN | GLU | ||||
| 2 | CYS | HIS | ALA | HIS | CYS | LEU | SER | ILE | GLY | ARG | ||||
| 3 | LYS | PHE | GLY | PHE | CYS | ALA | GLY | PRO | LEU | ARG | ||||
| 4 | ALA | THR | CYS | THR | CYS | GLY | LYS | GLN |
Samples:
sample_1: micasin 0.5 mM; H2O 90%; D2O 10%
sample_2: micasin 0.5 mM; D2O 100%
sample_conditions_1: pH: 3; 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
SPARKY v2.6, Goddard - chemical shift assignment
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
CNSSOLVE v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz