BMRB Entry 5160

Name: Microcin from Escherichia coli
Published: 2001-10-17

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5160

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Microcin from Escherichia coli PubMed: 11277936

Deposition date: 2001-09-25 Original release date: 2001-10-17

Authors: Blond, A.; Cheminant, M.; Segalas-Milazzo, I.; Peduzzi, J.; Barthelemy, M.; Goulard, C.; Salomon, R.; Moreno, F.; Farias, R.; Rebuffat, S.

Citation: Blond, A.; Cheminant, M.; Segalas-Milazzo, I.; Peduzzi, J.; Barthelemy, M.; Goulard, C.; Salomon, R.; Moreno, F.; Farias, R.; Rebuffat, S.. "Solution structure of microcin J25, the single macrocyclic antimicrobial peptide from Escherichia coli" Eur. J. Biochem. 268, 2124-2133 (2001).

Assembly members:
microcin J25, polymer, 21 residues, 2107 Da.

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

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):
microcin J25: VGIGTPISFYGGGAGHVPEY F

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
coupling_constants
- coupling_constants_set_1

Data type	Count
13C chemical shifts	79
1H chemical shifts	133
coupling constants	31

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	microcin J25	1

Entities:

Entity 1, microcin J25 21 residues - 2107 Da.

1

VAL

GLY

ILE

GLY

THR

PRO

ILE

SER

PHE

TYR

2

GLY

ALA

GLY

HIS

VAL

PRO

GLU

TYR

3

PHE

Samples:

sample_1: microcin J25 6 mM; CD3OH 100%

sample_cond_1: pH: 7.0; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
DQF-COSY	sample_1	not available	sample_cond_1
TOCSY	sample_1	not available	sample_cond_1
NOESY	sample_1	not available	sample_cond_1
1H-13C HSQC	sample_1	not available	sample_cond_1
1H13C HMBC	sample_1	not available	sample_cond_1

Software:

xwinnmr v2.5 - processing, spectrum acquisition

AURELIA v2.5.9 - NOE data quantification

X-PLOR v3.851 - simulated annealing, three-dimensional structure calculation

NMR spectrometers:

Bruker DMX 600 MHz
Bruker AVANCE 400 MHz