BMRB Entry 18705
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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/BMR18705
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Title: Solution Structure of the Antimicrobial Peptide Human Defensin 5 PubMed: 23163963
Deposition date: 2012-09-10 Original release date: 2012-11-27
Authors: Wommack, Andrew; Robson, Scott; Wanniarahchi, Yoshitha; Wan, Andrea; Turner, Christopher; Nolan, Elizabeth
Citation: Wommack, Andrew; Robson, Scott; Wanniarachchi, Yoshitha; Wan, Andrea; Turner, Christopher; Wagner, Gerhard; Nolan, Elizabeth. "NMR solution structure and condition-dependent oligomerization of the antimicrobial peptide human defensin 5." Biochemistry 51, 9624-9637 (2012).
Assembly members:
entity, polymer, 32 residues, 3594.227 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: ATCYCRTGRCATRESLSGVC
EISGRLYRLCCR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 192 |
| 15N chemical shifts | 54 |
| 1H chemical shifts | 364 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Antimicrobial Peptide Human Defensin 5 | 1 |
Entities:
Entity 1, Antimicrobial Peptide Human Defensin 5 32 residues - 3594.227 Da.
| 1 | ALA | THR | CYS | TYR | CYS | ARG | THR | GLY | ARG | CYS | ||||
| 2 | ALA | THR | ARG | GLU | SER | LEU | SER | GLY | VAL | CYS | ||||
| 3 | GLU | ILE | SER | GLY | ARG | LEU | TYR | ARG | LEU | CYS | ||||
| 4 | CYS | ARG |
Samples:
sample_1: TFA0 – 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.4 mM; pH: 4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 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 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 19693 |
| PDB | |
| EMBL | CCD28566 |
| GB | AAA35754 AAH69690 AAI07080 AAT68886 ADQ32910 |
| REF | NP_066290 |
| SP | Q01523 |
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