BMRB Entry 19275
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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/BMR19275
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Title: Solution Structure and Activity Study of Bovicin HJ50, a Particular Type AII Lantibiotic PubMed: 24814218
Deposition date: 2013-05-29 Original release date: 2014-05-20
Authors: Zhang, Jie; Feng, Yingang; Wang, Jinfeng; Zhong, Jin
Citation: Zhang, Jie; Feng, Yingang; Wang, Jinfeng; Zhong, Jin. "Type AII Lantibiotic Bovicin HJ50 with a Rare Disulfide Bond: Structure, Structure-Activity Relationships and Mode of Action" Biochem. J. ., .-. (2014).
Assembly members:
entity_1, polymer, 33 residues, 3156.733 Da.
Natural source: Common Name: Streptococcus equinus Taxonomy ID: 1335 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus bovis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: ADRGWIKXLXKDCPNVISSI
CAGTIITACKNCA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 106 |
| 1H chemical shifts | 219 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Bovicin HJ50 | 1 |
Entities:
Entity 1, Bovicin HJ50 33 residues - 3156.733 Da.
| 1 | ALA | ASP | ARG | GLY | TRP | ILE | LYS | DBB | LEU | DBB | ||||
| 2 | LYS | ASP | CYS | PRO | ASN | VAL | ILE | SER | SER | ILE | ||||
| 3 | CYS | ALA | GLY | THR | ILE | ILE | THR | ALA | CYS | LYS | ||||
| 4 | ASN | CYS | ALA |
Samples:
sample_1: entity_1 1 mM; sodium acetate, [U-2H], 50 mM; DSS 0.01%
sample_2: entity_1 1 mM; sodium acetate, [U-2H], 50 mM; DSS 0.01%
sample_conditions_1: ionic strength: 50 mM; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | 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 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
xwinnmr, Bruker Biospin - collection
FELIX, Accelrys Software Inc. - processing
NMRViewJ, Johnson, One Moon Scientific - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker DMX 600 MHz
Related Database Links:
| PDB |