BMRB Entry 16943

Name: Solution structure of the leader sequence of the patellamide precursor peptide, PatE1-34
Published: 2010-08-19

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PDB ID: 2kya
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16943
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of the leader sequence of the patellamide precursor peptide, PatE1-34 PubMed: 20715266

Deposition date: 2010-05-21 Original release date: 2010-08-19

Authors: Houssen, Wael; Wright, Steven; Kalverda, Arnout; Thompson, Gary; Kelly, Sharon; Jaspars, Marcel

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).

Assembly members:
PatE1-34, polymer, 34 residues, 3709.285 Da.

Natural source: Common Name: Tunicates Taxonomy ID: 13110 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lissoclinum patella

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
PatE1-34: MNKKNILPQQGQPVIRLTAG QLSSQLAELSEEAL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- peak_list_1

Data type	Count
1H chemical shifts	242

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PatE1-34	1

Entities:

Entity 1, PatE1-34 34 residues - 3709.285 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

LEU

Samples:

sample_1: H2O 50 ± 1 %; TFE, [U-100% 2H], 50 ± 1 %; sodium chloride 100 ± 1 mM; sodium phosphate 20 ± 1 mM; PatE1-34 1 ± 0.1 mM

sample_conditions_1: ionic strength: 0.160 M; pH: 5.7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H WCOSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY 40ms mix	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY 60ms mix	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY 80ms mix	sample_1	isotropic	sample_conditions_1
D 1H-1H NOESY 120ms mix	sample_1	isotropic	sample_conditions_1
D 1H-1H NOESY 200ms mix	sample_1	isotropic	sample_conditions_1
D 1H-1H NOESY 300ms mix	sample_1	isotropic	sample_conditions_1

Software:

ARIA v2.2u3, Linge, O'Donoghue and Nilges - chemical shift assignment, structure solution

ccpn_analysis v1.15, ccpn, cambridge - chemical shift assignment, data analysis, peak picking

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMRPipe v3.0 Rev 2007.068.09.07, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Varian INOVA 600 MHz