BMRB Entry 17955

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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/BMR17955
MolProbity Validation Chart

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Title:
(C9S, C14S)-leucocin A
Deposition date:
2011-09-22
Original release date:
2012-01-09
Authors:
Sit, Clarissa; Lohans, Christopher; van Belkum, Marco; Campbell, Chantel; Miskolzie, Mark; Vederas, John
Citation:

Citation: Sit, Clarissa; Lohans, Christopher; van Belkum, Marco; Campbell, Chantel; Miskolzie, Mark; Vederas, John. "Substitution of a Conserved Disulfide in the Type IIa Bacteriocin, Leucocin A, with L-Leucine and L-Serine Residues: Effects on Activity and Three-Dimensional Structure"  Chembiochem 13, 35-38 (2012).
PubMed: 22121114

Assembly members:

Assembly members:
entity, polymer, 37 residues, 3905.230 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pMAL-C2X

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: KYYGNGVHSTKSGSSVNWGE AFSAGVHRLANGGNGFW

Data sets:
Data typeCount
13C chemical shifts135
15N chemical shifts43
1H chemical shifts208

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1(C9S, C14S)-leucocin A1

Entities:

Entity 1, (C9S, C14S)-leucocin A 37 residues - 3905.230 Da.

1   LYSTYRTYRGLYASNGLYVALHISSERTHR
2   LYSSERGLYSERSERVALASNTRPGLYGLU
3   ALAPHESERALAGLYVALHISARGLEUALA
4   ASNGLYGLYASNGLYPHETRP

Samples:

sample_1: peptide, [U-99% 13C; U-99% 15N], 0.5 mM; DSS 100 uM; trifluoroethanol; H2O

sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 273 K

Experiments:

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

Software:

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

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB

Download HSQC peak lists in one of the following formats:
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