BMRB Entry 16182

Name: The solution conformation of the leader sequence of the prepropeptide for the microcin-like patellamides
Published: 2010-10-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16182

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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:

The solution conformation of the leader sequence of the prepropeptide for the microcin-like patellamides

Deposition date:

2009-02-22

Original release date:

2010-10-18

Authors:

Jaspars, Marcel; Wright, Stephen; Houssen, Wael; Kelly, Sharon; Kalverda, Arnout

Citation:

Citation: Houssen, Wael; Wright, Stephen; Kalverda, Arnout; Thompson, Gary; Kelly, Sharon; Jaspars, Marcel. "Solution structure of the leader sequence of the patellamide precursor peptide, PatE1-34." Chembiochem 11, 1867-1873 (2010).
PubMed: 20715266

Assembly members:

Assembly members:
Leader peptide, polymer, 35 residues, 3707.293 Da.

Natural source:

Natural source: Common Name: cyanobacteria Taxonomy ID: 1216 Superkingdom: Bacteria Kingdom: not available Genus/species: Prochloron not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Leader peptide: MNKKNILPQQGQPVIRLTAG QLSSQLAELSEEAX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	255

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PatE prepropeptide	1

Entities:

Entity 1, PatE prepropeptide 35 residues - 3707.293 Da.

1

MET

ASN

LYS

ASN

ILE

LEU

PRO

GLN

2

GLY

GLN

PRO

VAL

ILE

ARG

LEU

THR

ALA

GLY

3

GLN

LEU

SER

GLN

LEU

ALA

GLU

LEU

SER

4

GLU

ALA

NLW

Samples:

sample_1: entity 1.0 mM; H2O 50%; TFE, [U-99% 2H], 50%; disodium hydrogen phosphate 5 mM; sodium dihydrogen phosphate 5 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 65 mM; pH: 5.7; pressure: 1 atm; temperature: 298 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
1D 1H	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR v3.851, Brunger - restrained molecular dynamics calculations

NMR spectrometers:

Varian INOVA 600 MHz