BMRB Entry 5859

Name: Structure of Antibacterial Peptide Microcin J25: A 21-Residue Lariat Protoknot
Published: 2003-10-17

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PDB ID: 1pp5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR5859
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

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:

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).
PubMed: 14531661

Assembly members:

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

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Microcin J25: GGAGHVPEYFVGIGTPISFY G

Data sets:

assigned_chemical_shifts
- chemical_shift_MCCJ25
coupling_constants
- MCCJ25_JNH_1

Data type	Count
1H chemical shifts	133
13C chemical shifts	72
15N chemical shifts	19
coupling constants	13

Time Domain Data

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 - 2107.3 Da.

1

GLY

ALA

GLY

HIS

VAL

PRO

GLU

TYR

PHE

2

VAL

GLY

ILE

GLY

THR

PRO

ILE

SER

PHE

TYR

3

GLY

Samples:

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

Experiments:

Name	Sample	Sample state	Sample conditions
NH HSQC	not available	not available	Ex-cond_1
HNCACB	not available	not available	Ex-cond_1
CBCAcoNH	not available	not available	Ex-cond_1
CH HSQC	not available	not available	Ex-cond_1
HCCH-COSY	not available	not available	Ex-cond_1
15N-edited NOESY	not available	not available	Ex-cond_1
13C edited NOESY	not available	not available	Ex-cond_1
HNHA	not available	not available	Ex-cond_1
HBCBcgcdHD	not available	not available	Ex-cond_1
aromatic TOCSY RD	not available	not available	Ex-cond_1
hetNOE	not available	not available	Ex-cond_1
15N HSQC TOCSY	not available	not available	Ex-cond_1

Software:

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

PDB	1PP5 1Q71 4CU4
GB	AAD28494 AGC14267 AIF78688 ELC03738 ELC41113
REF	WP_001513516 YP_007443296 YP_009071192 YP_009075876
SP	Q9X2V7
AlphaFold	Q9X2V7