BMRB Entry 19355
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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/BMR19355
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Title: Lassomycin PubMed: 24684906
Deposition date: 2013-07-09 Original release date: 2014-04-14
Authors: Gavrish, Ekaterina; Sit, Clarissa; Kandror, Olga; Spoering, Amy; Peoples, Aaron; Ling, Losee; Fetterman, Ashley; Hughes, Dallas; Cao, Shugeng; Bissell, Anthony; Torrey, Heather; Akopian, Tatos; Mueller, Andreas; Epstein, Slava; Goldberg, Alfred; Clardy, Jon; Lewis, Kim
Citation: Gavrish, Ekaterina; Sit, Clarissa; Cao, Shugeng; Kandror, Olga; Spoering, Amy; Peoples, Aaron; Ling, Losee; Fetterman, Ashley; Hughes, Dallas; Bissell, Anthony; Torrey, Heather; Akopian, Tatos; Mueller, Andreas; Epstein, Slava; Goldberg, Alfred; Clardy, Jon; Lewis, Kim. "Lassomycin, a Ribosomally Synthesized Cyclic Peptide, Kills Mycobacterium tuberculosis by Targeting the ATP-Dependent Protease ClpC1P1P2." Chem. Biol. 21, 509-518 (2014).
Assembly members:
entity_1, polymer, 15 residues, 1774.100 Da.
methyl L-isoleucinate, non-polymer, 145.199 Da.
Natural source: Common Name: high GC gram+ Taxonomy ID: 360086 Superkingdom: Bactera Kingdom: Actinobacteria Genus/species: Lentzea kentuckyensis
Experimental source: Production method: purified from the natural source Host organism: Lentzea kentuckiensis
Entity Sequences (FASTA):
entity_1: GLRRLFANQLVGRRN
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 55 |
15N chemical shifts | 19 |
1H chemical shifts | 109 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Lassomycin | 1 |
2 | ILM | 2 |
Entities:
Entity 1, Lassomycin 15 residues - 1774.100 Da.
1 | GLY | LEU | ARG | ARG | LEU | PHE | ALA | ASN | GLN | LEU | ||||
2 | VAL | GLY | ARG | ARG | ASN |
Entity 2, ILM - C7 H15 N O2 - 145.199 Da.
1 | ILM |
Samples:
sample_1: entity_1, [U-100% 13C; U-100% 15N], 4 mM; DMSO mM
sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 273 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
3D HNHA | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N TOCSY | 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 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Varian INOVA 800 MHz
Related Database Links:
PDB |
Download simulated HSQC data in one of the following formats:
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