BMRB Entry 30229

Name: Solution NMR Structure of Lasso Peptide Acinetodin
Published: 2017-02-02

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PDB ID: 5ui6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30229
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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:

Solution NMR Structure of Lasso Peptide Acinetodin

Deposition date:

2017-01-12

Original release date:

2017-02-02

Authors:

Bushin, L.; Metelev, M.; Severinov, K.; Seyedsayamdost, M.

Citation:

Citation: Metelev, M.; Arseniev, A.; Bushin, L.; Kuznedelov, K.; Artamonova, T.; Kondratenko, R.; Khodorkovskii, M.; Seyedsayamdost, M.; Severinov, K.. "Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae." ACS Chem. Biol. 12, 814-824 (2017).
PubMed: 28106375

Assembly members:

Assembly members:
Acinetodin, polymer, 18 residues, 1976.127 Da.

Natural source:

Natural source: Common Name: g-proteobacteria Taxonomy ID: 1217657 Superkingdom: Bacteria Kingdom: not available Genus/species: Acinetobacter gyllenbergii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BW25113

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Acinetodin: GGKGPIFETWVTEGNYYG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	114

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 18 residues - 1976.127 Da.

1

GLY

LYS

GLY

PRO

ILE

PHE

GLU

THR

TRP

2

VAL

THR

GLU

GLY

ASN

TYR

GLY

Samples:

sample_1: Acinetodin, NA, 10 mg/mL; H2O 90%; D2O 10%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HMBC	sample_1	anisotropic	sample_conditions_1
1D 1H	sample_1	anisotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

MestReNova, Mestrelab - data analysis

NMR spectrometers:

Bruker AvanceIII 800 MHz