BMRB Entry 16350

Name: NMR solution structure of the pheromone En-A1 from Euplotes nobilii
Published: 2011-04-08

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PDB ID: 2kk2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16350
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution structure of the pheromone En-A1 from Euplotes nobilii

Deposition date:

2009-06-15

Original release date:

2011-04-08

Authors:

Pedrini, Bill; Alimenti, Claudio; Vallesi, Adriana; Luporini, Piero; Wuthrich, Kurt

Citation:

Citation: Di Giuseppe, Graziano; Erra, Fabrizio; Dini, Fernando; Alimenti, Claudio; Vallesi, Adriana; Pedrini, Bill; Wuthrich, Kurt; Luporini, Pierangelo. "Antarctic and Arctic populations of the ciliate Euplotes nobilii show common pheromone-mediated cell-cell signaling and cross-mating." Proc. Natl. Acad. Sci. U.S.A. 108, 3181-3186 (2011).
PubMed: 21300903

Assembly members:

Assembly members:
pheromone En-A1, polymer, 61 residues, 6523.180 Da.

Natural source:

Natural source: Common Name: ciliates Taxonomy ID: 184062 Superkingdom: Eukaryota Kingdom: not available Genus/species: Euplotes nobilii

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Euplotes nobilii

Entity Sequences (FASTA):

Entity Sequences (FASTA):
pheromone En-A1: YNPEDDYTPLTCPHTISVVW YECTENTANCGTACCDSCFE LTGNTMCLLQAGAAGSGCDM E

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	167
1H chemical shifts	371

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	pheromone En-A1	1

Entities:

Entity 1, pheromone En-A1 61 residues - 6523.180 Da.

1

TYR

ASN

PRO

GLU

ASP

TYR

THR

PRO

LEU

2

THR

CYS

PRO

HIS

THR

ILE

SER

VAL

TRP

3

TYR

GLU

CYS

THR

GLU

ASN

THR

ALA

ASN

CYS

4

GLY

THR

ALA

CYS

ASP

SER

CYS

PHE

GLU

5

LEU

THR

GLY

ASN

THR

MET

CYS

LEU

GLN

6

ALA

GLY

ALA

GLY

SER

GLY

CYS

ASP

MET

7

GLU

Samples:

sample_1: En-A1 1.0 mM; sodium phosphate 20 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 24.8 mM; pH: 6.0; pressure: 1 atm; temperature: 298 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-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CARA v1.5, Keller and Wuthrich - chemical shift assignment

ATNOS, Herrmann, Guntert and Wuthrich - peak picking

CANDID, Herrmann, Guntert and Wuthrich - collection of distance restraints

CYANA v1.x, Guntert, Mumenthaler and Wuthrich - simulated annealing

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz

PDB	2KK2
GB	ACQ66090