BMRB Entry 50027

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50027
MolProbity Validation Chart

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Title:
The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens
Deposition date:
2019-10-02
Original release date:
2020-08-06
Authors:
Chiumento, Steve; Roblin, Clarisse; Bornet, Olivier; Nouailler, Matthieu; Muller, Christina; Basset, Christian; Kieffer-Jaquinod, Sylvie; Coute, Yohann; Torelli, Stephane; Le Pape, Laurent; Shunemann, Volker; Jeannot, Katy; Nicoletti, Cendrine; Iranzo, Olga; Maresca, Marc; Giardina, Thierry; Fons, Michel; Devillard, Estelle; Perrier, Josette; Atta, Mohamed; Guerlesquin, Francoise; Lafond, Mickael; Duarte, Victor
Citation:

Citation: Roblin, Clarisse; Chiumento, Steve; Bornet, Olivier; Nouailler, Matthieu; Muller, Christina; Jeannot, Katy; Basset, Christian; Kieffer-Jaquinod, Sylvie; Coute, Yohann; Torelli, Stephane; Le Pape, Laurent; Schunemann, Volker; Olleik, Hamza; De La Villeon, Bruno; Sockeel, Philippe; Di Pasquale, Eric; Nicoletti, Cendrine; Vidal, Nicolas; Poljak, Leonora; Iranzo, Olga; Giardina, Thierry; Fons, Michel; Devillard, Estelle; Polard, Patrice; Maresca, Marc; Perrier, Josette; Atta, Mohamed; Guerlesquin, Francoise; Lafond, Mickael; Duarte, Victor. "The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens"  Proc. Natl. Acad. Sci. U. S. A. 117, 19168-19177 (2020).
PubMed: 32719135

Assembly members:

Assembly members:
entity_1, polymer, 44 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Ruminococcus gnavus   Taxonomy ID: 33038   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Ruminococcus gnavus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pETM40-rumC1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: WGCVCSGSTAVANSHNAGPA YCVGYCGNNGVVTRNANANV AKTA

Data sets:
Data typeCount
13C chemical shifts138
15N chemical shifts47
1H chemical shifts222

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1RUMC11

Entities:

Entity 1, RUMC1 44 residues - Formula weight is not available

1   TRPGLYCYSVALCYSSERGLYSERTHRALA
2   VALALAASNSERHISASNALAGLYPROALA
3   TYRCYSVALGLYTYRCYSGLYASNASNGLY
4   VALVALTHRARGASNALAASNALAASNVAL
5   ALALYSTHRALA

Samples:

sample_1: RUMC1, [U-100% 13C; U-100% 15N], 0.2 mM; phosphate buffer 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.8; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

CcpNMR vv2.4.2, Vranken et al, 2005 - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks