BMRB Entry 25297
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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/BMR25297
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Title: Solution-state NMR structure of the lasso peptide streptomonomicin PubMed: 25601074
Deposition date: 2014-10-24 Original release date: 2015-01-16
Authors: Tietz, Jonathan; Zhu, Lingyang; Mitchell, Douglas; Metelev, Mikhail; Melby, Joel; Blair, Patricia; Livnat, Itamar; Severinov, Konstantin
Citation: Metelev, Mikhail; Tietz, Jonathan; Melby, Joel; Zhu, Lingyang; Blair, Patricia; Livnat, Itamar; Severinov, Konstantin; Mitchell, Douglas. "Structure, bioactivity, and resistance mechanism of streptomonomicin, an unusual lasso Peptide from an understudied halophilic actinomycete" Chem. Biol. 22, 241-250 (2015).
Assembly members:
entity, polymer, 21 residues, 2252.586 Da.
Natural source: Common Name: high GC Gram+ Taxonomy ID: 183763 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomonospora alba
Experimental source: Production method: purified from the natural source Host organism: Streptomonospora alba
Entity Sequences (FASTA):
entity: SLGSSPYNDILGYPALIVIY
P
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 21 |
| 1H chemical shifts | 152 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 21 residues - 2252.586 Da.
| 1 | SER | LEU | GLY | SER | SER | PRO | TYR | ASN | ASP | ILE | ||||
| 2 | LEU | GLY | TYR | PRO | ALA | LEU | ILE | VAL | ILE | TYR | ||||
| 3 | PRO |
Samples:
sample_1: streptomonomicin 4 mM; methanol 100%
sample_conditions_1: temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR_NIH v2.36, Brunger - refinement, structure solution
SPARKY v3.115, Goddard - peak picking
NMRPipe v8.2, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
VNMRJ v3.2A, Varian - collection
MestReNova v8.1.1, Mestrelab - chemical shift assignment, processing
NMR spectrometers:
- Agilent VNMRS 750 MHz