BMRB Entry 25297

Name: Solution-state NMR structure of the lasso peptide streptomonomicin
Published: 2015-01-16

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PDB ID: 2mw3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25297
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution-state NMR structure of the lasso peptide streptomonomicin

Deposition date:

2014-10-24

Original release date:

2015-01-16

Authors:

Tietz, Jonathan; Zhu, Lingyang; Mitchell, Douglas; Metelev, Mikhail; Melby, Joel; Blair, Patricia; Livnat, Itamar; Severinov, Konstantin

Citation:

Citation: Metelev, Mikhail; Tietz, Jonathan; Melby, Joel; Zhu, Lingyang; Blair, Patricia; Livnat, Itamar; Severinov, Konstantin; Mitchell, Douglas. "Structure, bioactivity, and resistance mechanism of streptomonomicin, an unusual lasso Peptide from an understudied halophilic actinomycete" Chem. Biol. 22, 241-250 (2015).
PubMed: 25601074

Assembly members:

Assembly members:
entity, polymer, 21 residues, 2252.586 Da.

Natural source:

Natural source: Common Name: high GC Gram+ Taxonomy ID: 183763 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomonospora alba

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Streptomonospora alba

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: SLGSSPYNDILGYPALIVIY P

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	21
1H chemical shifts	152

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 21 residues - 2252.586 Da.

1

SER

LEU

GLY

SER

PRO

TYR

ASN

ASP

ILE

2

LEU

GLY

TYR

PRO

ALA

LEU

ILE

VAL

ILE

TYR

3

PRO

Samples:

sample_1: streptomonomicin 4 mM; methanol 100%

sample_conditions_1: temperature: 273 K

Experiments:

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

Software:

X-PLOR_NIH v2.36, Brunger - refinement, structure solution

SPARKY v3.115, Goddard - peak picking

NMRPipe v8.2, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMRJ v3.2A, Varian - collection

MestReNova v8.1.1, Mestrelab - chemical shift assignment, processing

NMR spectrometers:

Agilent VNMRS 750 MHz

PDB	2MW3
GB	KIH99826