BMRB: 16350

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

Authors

Pedrini, B., Alimenti, C., Vallesi, A., Luporini, P., Wuthrich, K.

Assembly

pheromone En-A1

Entity

1. pheromone En-A1 (polymer, Thiol state: all disulfide bound), 61 monomers, 6522.155 Da Detail

YNPEDDYTPL TCPHTISVVW YECTENTANC GTACCDSCFE LTGNTMCLLQ AGAAGSGCDM E

Formula weight

6522.155 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS12:SG	1:CYS38:SG
2	disulfide	sing	1:CYS23:SG	1:CYS34:SG
3	disulfide	sing	1:CYS35:SG	1:CYS47:SG
4	disulfide	sing	1:CYS30:SG	1:CYS58:SG

Source organism

Euplotes nobilii

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.7 %, Completeness (bb): 78.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	86.7 % (484 of 558)	98.7 % (309 of 313)	71.4 % (175 of 245)
Backbone	78.1 % (236 of 302)	96.8 % (120 of 124)	65.2 % (116 of 178)
Sidechain	96.8 % (302 of 312)	100.0 % (189 of 189)	91.9 % (113 of 123)
Aromatic	83.7 % (41 of 49)	100.0 % (25 of 25)	66.7 % (16 of 24)
Methyl	100.0 % (54 of 54)	100.0 % (27 of 27)	100.0 % (27 of 27)

1. pheromone En-A1

YNPEDDYTPL TCPHTISVVW YECTENTANC GTACCDSCFE LTGNTMCLLQ AGAAGSGCDM E

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	En-A1	natural abundance		1.0 mM
2	sodium phosphate	natural abundance		20 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

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LACS Plot; CA

Referencing offset: -0.24 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

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LACS Plot; CB

Referencing offset: -0.24 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

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LACS Plot; HA

Referencing offset: -0.01 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

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Protein Blocks Logo

Calculated from 20 models in PDB: 2KK2, Strand ID: A Detail

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Release date

2011-04-07

Citation

Antarctic and Arctic populations of the ciliate Euplotes nobilii show common pheromone-mediated cell-cell signaling and cross-mating
Di Giuseppe, G., Erra, F., Dini, F., Alimenti, C., Vallesi, A., Pedrini, B., Wuthrich, K., Luporini, P.
Proc. Natl. Acad. Sci. U. S. A. (2011), 108, 3181-3186, PubMed 21300903 , DOI 10.1073/pnas.1019432108 , Abstract

Related entities 1. pheromone En-A1, : 1 : 5 entities Detail

Experiments performed 4 experiments Detail