BMRB Entry 19823

Name: Structure of Lasso Peptide Caulonodin V
Published: 2015-01-12

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PDB ID: 2mlj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19823
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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:

Structure of Lasso Peptide Caulonodin V

Deposition date:

2014-02-28

Original release date:

2015-01-12

Authors:

Zimmermann, Marcel; Hegemann, Julian; Xie, Xiulan; Marahiel, Mohamed

Citation:

Citation: Zimmermann, Marcel; Hegemann, Julian; Xie, Xiulan; Marahiel, Mohamed. "Characterization of caulonodin lasso peptides revealed unprecedented N-terminal residues and a precursor motif essential for peptide maturation" Chem. Sci. 5, 4032-4043 (2014).

Assembly members:

Assembly members:
entity, polymer, 18 residues, 2002.157 Da.

Natural source:

Natural source: Common Name: a-proteobacteria Taxonomy ID: 366602 Superkingdom: Bacteria Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET41A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: SIGDSGLRESMSSQTYWP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	110

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Lasso Peptide Caulonodin V	1

Entities:

Entity 1, Lasso Peptide Caulonodin V 18 residues - 2002.157 Da.

1

SER

ILE

GLY

ASP

SER

GLY

LEU

ARG

GLU

SER

2

MET

SER

GLN

THR

TYR

TRP

PRO

Samples:

sample_1: cnd5 10 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

NMR spectrometers:

Bruker Avance 600 MHz