BMRB Entry 36017

Name: Solution NMR structure of a new lasso peptide sphaericin
Published: 2017-06-12

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PDB ID: 5gvo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36017
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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 NMR structure of a new lasso peptide sphaericin

Deposition date:

2016-09-06

Original release date:

2017-06-12

Authors:

Hemmi, H.; Kodani, S.; Inoue, Y.; Suzuki, M.; Dohra, H.; Suzuki, T.; Ohnishi-Kameyama, M.

Citation:

Citation: Kodani, S.; Inoue, Y.; Suzuki, M.; Dohra, H.; Suzuki, T.; Hemmi, H.; Ohnishi-Kameyama, M.. "Sphaericin, a Lasso Peptide from the Rare Actinomycete Planomonospora sphaerica" Eur. J. Org. Chem. 2017, 1177-1183 (2017).

Assembly members:

Assembly members:
entity_1, polymer, 18 residues, 2175.509 Da.

Natural source:

Natural source: Common Name: Planomonospora sphaerica Taxonomy ID: 161355 Superkingdom: Bacteria Kingdom: not available Genus/species: Planomonospora sphaerica

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GLPIGWWIERPSGWYFPI

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	89
1H chemical shifts	142

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 - 2175.509 Da.

1

GLY

LEU

PRO

ILE

GLY

TRP

ILE

GLU

ARG

2

PRO

SER

GLY

TRP

TYR

PHE

PRO

ILE

Samples:

sample_1: peptide, NA-C,H, 10 mg/mL; DMSO-d6 100%

sample_conditions_1: pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

Bruker Avance 600 MHz
Bruker AvanceIII 800 MHz