BMRB Entry 31037

Name: Antimicrobial lasso peptide cloacaenodin
Published: 2022-11-28

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PDB ID: 8dyn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31037
MolProbity Validation Chart

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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:

Antimicrobial lasso peptide cloacaenodin

Deposition date:

2022-08-04

Original release date:

2022-11-28

Authors:

Carson, D.; Link, A.

Citation:

Citation: Carson, Drew; Patino, Monica; Elashal, Hader; Cartagena, Alexis Jaramillo; Zhang, Yi; Whitley, Megan; So, Larry; Kayser-Browne, Angelo; Earl, Ashlee; Bhattacharyya, Roby; Link, A James. "Cloacaenodin, an Antimicrobial Lasso Peptide with Activity against Enterobacter" ACS Infect. Dis. 9, 111-121 (2023).
PubMed: 36519726

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 2603.924 Da.

Natural source:

Natural source: Common Name: Enterobacter hormaechei Taxonomy ID: 158836 Superkingdom: Bacteria Kingdom: not available Genus/species: Enterobacter hormaechei

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21 Vector: pAK2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GHSVDRIPEYFGPPGLPGPV LFYS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	145

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 24 residues - 2603.924 Da.

1

GLY

HIS

SER

VAL

ASP

ARG

ILE

PRO

GLU

TYR

2

PHE

GLY

PRO

GLY

LEU

PRO

GLY

PRO

VAL

3

LEU

PHE

TYR

SER

Samples:

sample_1: Cloacaenodin 6.7 mg/mL

sample_conditions_1: ionic strength: 0 M; pH: 6.5; pressure: 1 atm; temperature: 277 K

Experiments:

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

Software:

MestreLab (Mnova / MestReNova / MestReC) v14.2.0-26256, MestreLab Research - chemical shift assignment, peak picking

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

NMR spectrometers:

Bruker AVANCE III 800 MHz