BMRB Entry 17955
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17955
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Title: (C9S, C14S)-leucocin A PubMed: 22121114
Deposition date: 2011-09-22 Original release date: 2012-01-09
Authors: Sit, Clarissa; Lohans, Christopher; van Belkum, Marco; Campbell, Chantel; Miskolzie, Mark; Vederas, John
Citation: Sit, Clarissa; Lohans, Christopher; van Belkum, Marco; Campbell, Chantel; Miskolzie, Mark; Vederas, John. "Substitution of a Conserved Disulfide in the Type IIa Bacteriocin, Leucocin A, with L-Leucine and L-Serine Residues: Effects on Activity and Three-Dimensional Structure" Chembiochem 13, 35-38 (2012).
Assembly members:
entity, polymer, 37 residues, 3905.230 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: KYYGNGVHSTKSGSSVNWGE
AFSAGVHRLANGGNGFW
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 135 |
| 15N chemical shifts | 43 |
| 1H chemical shifts | 208 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | (C9S, C14S)-leucocin A | 1 |
Entities:
Entity 1, (C9S, C14S)-leucocin A 37 residues - 3905.230 Da.
| 1 | LYS | TYR | TYR | GLY | ASN | GLY | VAL | HIS | SER | THR | ||||
| 2 | LYS | SER | GLY | SER | SER | VAL | ASN | TRP | GLY | GLU | ||||
| 3 | ALA | PHE | SER | ALA | GLY | VAL | HIS | ARG | LEU | ALA | ||||
| 4 | ASN | GLY | GLY | ASN | GLY | PHE | TRP |
Samples:
sample_1: peptide, [U-99% 13C; U-99% 15N], 0.5 mM; DSS 100 uM; trifluoroethanol; H2O
sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
| PDB |
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