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
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Lassomycin
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:

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).
PubMed: 24684906

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 1774.100 Da.
methyl L-isoleucinate, non-polymer, 145.199 Da.

Natural source:

Natural source:   Common Name: high GC gram+   Taxonomy ID: 360086   Superkingdom: Bactera   Kingdom: Actinobacteria   Genus/species: Lentzea kentuckyensis

Experimental source:

Experimental source:   Production method: purified from the natural source   Host organism: Lentzea kentuckiensis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GLRRLFANQLVGRRN

Data sets:
Data typeCount
13C chemical shifts55
15N chemical shifts19
1H chemical shifts109

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Lassomycin1
2ILM2

Entities:

Entity 1, Lassomycin 15 residues - 1774.100 Da.

1   GLYLEUARGARGLEUPHEALAASNGLNLEU
2   VALGLYARGARGASN

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Varian INOVA 800 MHz

Related Database Links:

PDB

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