BMRB Entry 19619
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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/BMR19619
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Title: Structure and NMR assignments of lantibiotic NAI-107 in DPC micelles PubMed: 24627484
Deposition date: 2013-11-18 Original release date: 2014-03-03
Authors: Munch, Daniela; Muller, Anna; Schneider, Tanja; Kohl, Bastian; Wenzel, Michaela; Bandow, Julia; Maffioli, Sonia; Sosio, Margherita; Donadio, Stefano; Wimmer, Reinhard; Sahl, Hans-Georg
Citation: Munch, Daniela; Muller, Anna; Schneider, Tanja; Kohl, Bastian; Wenzel, Michaela; Bandow, Julia Elisabeth; Maffioli, Sonia; Sosio, Margherita; Donadio, Stefano; Wimmer, Reinhard; Sahl, Hans-Georg. "The Lantibiotic NAI-107 Binds to Bactoprenol-bound Cell Wall Precursors and Impairs Membrane Functions." J. Biol. Chem. 289, 12063-12076 (2014).
Assembly members:
entity_1, polymer, 24 residues, 2003.355 Da.
Natural source: Common Name: Microbispora sp. 107891 Taxonomy ID: 415003 Superkingdom: Bacteria Kingdom: not available Genus/species: Microbispora Microbispora sp. 107891
Experimental source: Production method: purified from the natural source Host organism: Microbispora
Entity Sequences (FASTA):
entity_1: VXXXXLCXPGCTXXGGGXNC
XFCX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 40 |
| 1H chemical shifts | 114 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | lantibiotic NAI-107 | 1 |
Entities:
Entity 1, lantibiotic NAI-107 24 residues - 2003.355 Da.
| 1 | VAL | DBU | DAL | 5CW | DHA | LEU | CYS | DBB | PRO | GLY | ||||
| 2 | CYS | THR | DAL | HYP | GLY | GLY | GLY | DAL | ASN | CYS | ||||
| 3 | DAL | PHE | CYS | TEE |
Samples:
sample_1: entity_1 3.5 mM; dodecylphosphocholine-d38, [U-2H], 150 mM; potassium phosphate 10 mM; TSP-d4, 2,2,3,3-D, 0.02 mM
sample_conditions_1: pH: 6.2; pressure: 1 atm; temperature: 310.1 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 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.1, Bruker Biospin - collection
CARA, Keller and Wuthrich - chemical shift assignment
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
YASARA, Yasara Biosciences - refinement
NMR spectrometers:
- Bruker AVIII 600 MHz
- Bruker Avance 900 MHz
- Bruker DRX 600 MHz