BMRB Entry 19573

Name: STRUCTURE OF LASSO PEPTIDE XANTHOMONIN II
Published: 2014-02-11

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PDB ID: 2mfv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19573
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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 XANTHOMONIN II

Deposition date:

2013-10-23

Original release date:

2014-02-11

Authors:

Hegemann, J.; Zimmermann, M.; Harms, K.; Xie, X.; Marahiel, M.

Citation:

Citation: Hegemann, Julian; Zimmermann, Marcel; Zhu, Shaozhou; Steuber, Holger; Harms, Klaus; Xie, Xiulan; Marahiel, Mohamed. "Xanthomonins I-III: a new class of lasso peptides with a seven-residue macrolactam ring." Angew. Chem. Int. Ed. Engl. 53, 2230-2234 (2014).
PubMed: 24446383

Assembly members:

Assembly members:
XANTHOMONIN_II, polymer, 14 residues, 1289.419 Da.

Natural source:

Natural source: Common Name: Xanthomonas Gardneri Taxonomy ID: 90270 Superkingdom: Bacteria Kingdom: not available Genus/species: Xanthomonas Gardneri

Experimental source:

Experimental source: Production method: recombinant technology Host organism: XANTHOMONAS GARDNERI Vector: PET41A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
XANTHOMONIN_II: GGPLAGEEMGGITT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	81

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	XANTHOMONIN II	1

Entities:

Entity 1, XANTHOMONIN II 14 residues - 1289.419 Da.

1

GLY

PRO

LEU

ALA

GLY

GLU

MET

GLY

2

GLY

ILE

THR

Samples:

sample_1: XANTHOMONIN II 8.8 mM

sample_conditions_1: ionic strength: 0 M; pressure: 1 atm; temperature: 305 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