BMRB Entry 5264
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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/BMR5264
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Citation: Schibli, D.; Hunter, H.; Aseyev, V.; Starner, T.; Wiencek, J.; McCray, P.; Tack, B.; Vogel, H.. "The Solution Structures of the Human beta-Defensins lead to a Better
Understanding of the Potent Bactericidal Activity of HBD3 against Staphylococcus
aureus" J. Biol. Chem. 277, 8279-8289 (2002).
PubMed: 11741980
Assembly members:
Human beta-defensin 3, polymer, 45 residues, 5168.9 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Human beta-defensin 3: GIINTLQKYYCRVRGGRCAV
LSCLPKEEQIGKCSTRGRKC
CRRKK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 279 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Beta-defensin 3 | 1 |
Entities:
Entity 1, Beta-defensin 3 45 residues - 5168.9 Da.
| 1 | GLY | ILE | ILE | ASN | THR | LEU | GLN | LYS | TYR | TYR | ||||
| 2 | CYS | ARG | VAL | ARG | GLY | GLY | ARG | CYS | ALA | VAL | ||||
| 3 | LEU | SER | CYS | LEU | PRO | LYS | GLU | GLU | GLN | ILE | ||||
| 4 | GLY | LYS | CYS | SER | THR | ARG | GLY | ARG | LYS | CYS | ||||
| 5 | CYS | ARG | ARG | LYS | LYS |
Samples:
sample_1: Human beta-defensin 3 0.36 mM; D2O 10%; H2O 90%
sample_2: Human beta-defensin 3 0.36 mM; D2O 100%
sample_cond_1: pH: 4.00; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| 2D DQF-COSY | not available | not available | not available |
Software:
XWINNMR v2.6 - collection
NMRPipe v1.8 - processing
NMRView v4.1.3 - data analysis
CNS v1.0 - refinement
Aria v1.0 - refinement
NMR spectrometers:
- Bruker AVANCE 500 MHz
- Varian INOVA 800 MHz