BMRB Entry 30165

Name: [3]catenane from MccJ25 G12R/I13C/G21C lasso peptide
Published: 2016-11-28

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PDB ID: 5t56
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30165
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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:

[3]catenane from MccJ25 G12R/I13C/G21C lasso peptide

Deposition date:

2016-08-30

Original release date:

2016-11-28

Authors:

Link, A.; Allen, C.

Citation:

Citation: Link, A.; Allen, C.. "Self-assembly of catenanes from lasso peptides" J. Am. Chem. Soc. 138, 14214-14217 (2016).
PubMed: 27768305

Assembly members:

Assembly members:
Microcin J25, polymer, 12 residues, 1290.427 Da.
Microcin J25, polymer, 9 residues, 990.154 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Microcin J25: GGAGHVPEYFVR
Microcin J25: CGTPISFYC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	238

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, chain 1	1
2	entity_2, chain 1	2
3	entity_1, chain 2	1
4	entity_2, chain 2	2

Entities:

Entity 1, entity_1, chain 1 12 residues - 1290.427 Da.

1

GLY

ALA

GLY

HIS

VAL

PRO

GLU

TYR

PHE

2

VAL

ARG

Entity 2, entity_2, chain 1 9 residues - 990.154 Da.

1

CYS

GLY

THR

PRO

ILE

SER

PHE

TYR

CYS

Samples:

sample_1: [3]catenane from MccJ25 RCC lasso peptide 3.7 mg/mL; H2O 95%; D2O 5%

sample_conditions_1: pressure: 1 atm; temperature: 295 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	isotropic	sample_conditions_1
2D TOCSY	sample_1	isotropic	sample_conditions_1

Software:

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

GROMACS v5.1.1, Abraham, Hess, van der Spoel, Lindahl - refinement

MestReNova v9.0.1, Mestrelab Research S.L. - data analysis

NMR spectrometers:

Bruker AvanceIII 800 MHz