Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 5859

Title: Structure of Antibacterial Peptide Microcin J25: A 21-Residue Lariat Protoknot   PubMed: 14531661

Deposition date: 2003-07-04 Original release date: 2003-10-17

Authors: Bayro, Marvin; Swapna, Gurla; Huang, Yuangpeng; Ma, Li-chung; Mukhopadhyay, Jayanta; Sineva, Elena; Ebright, Richard; Montelione, Gaetano

Citation: Bayro, Marvin; Mukhopadhyay, Jayanta; Swapna, G.; Huang, Yuangpeng; Ma, Li-chung; Sineva, Elena; Dawson, Philip; Montelione, Gaetano; Ebright, Richard. "Structure of Antibacterial Peptide Microcin J25: A 21-Residue Lariat Protoknot"  J. Am. Chem. Soc. 125, 12382-12383 (2003).

Assembly members:
Microcin J25, polymer, 21 residues, 2107.3 Da.

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

Experimental source:   Production method: recombinate technology   Host organism: Escherichia coli   Vector: plasmid pTUC202

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts133
13C chemical shifts72
15N chemical shifts19
coupling constants13

Time Domain Data

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
1Microcin J251


Entity 1, Microcin J25 21 residues - 2107.3 Da.

3   GLY


sample_1: Microcin J25, [U-94% 13C; U-94% 15N], 2.0 mM; CD3OH 100%

sample_2: Microcin J25, [U-100% 15N], 2.0 mM; CD3OH 100%

Ex-cond_1: pH: .; temperature: 298 K; ionic strength: 0.1 M


NameSampleSample stateSample conditions
NH HSQCnot availablenot availableEx-cond_1
HNCACBnot availablenot availableEx-cond_1
CBCAcoNHnot availablenot availableEx-cond_1
CH HSQCnot availablenot availableEx-cond_1
HCCH-COSYnot availablenot availableEx-cond_1
15N-edited NOESYnot availablenot availableEx-cond_1
13C edited NOESYnot availablenot availableEx-cond_1
HNHAnot availablenot availableEx-cond_1
HBCBcgcdHDnot availablenot availableEx-cond_1
aromatic TOCSY RDnot availablenot availableEx-cond_1
hetNOEnot availablenot availableEx-cond_1
15N HSQC TOCSYnot availablenot availableEx-cond_1


VNMR6.1C - data collection

nmrPipe - raw spectral data processing

Sparky - spectral visualization

AutoStructure - automated structural determination

HYPER v3.2 - data analysis

DYANA v1.5 - structure refinement

NMR spectrometers:

  • varian UNITY Inova 500 MHz
  • varian UNITY Inova 600 MHz

Related Database Links:

GB AAD28494 AGC14267 AIF78688 ELC03738 ELC41113
REF WP_001513516 YP_007443296 YP_009071192 YP_009075876
AlphaFold Q9X2V7

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