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BMRB: 25864

2N8S

Solution Structure of the rNedd4 WW1 Domain by NMR

Authors

Spagnol, G., Kieken, F., Sorgen, P.L.

Assembly

rNedd4 WW1 Domain

Entity

1. rNedd4 WW1 Domain (polymer, Thiol state: not present), 39 monomers, 4553.869 Da Detail

GSPSPLPPGW EERQDVLGRT YYVNHESRTT QWKRPSPED

Formula weight

4553.869 Da

Source organism

Rattus norvegicus

Exptl. method

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.3 %, Completeness: 85.4 %, Completeness (bb): 77.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.4 % (392 of 459)	92.2 % (226 of 245)	73.9 % (130 of 176)	94.7 % (36 of 38)
Backbone	77.0 % (171 of 222)	92.0 % (69 of 75)	62.3 % (71 of 114)	93.9 % (31 of 33)
Sidechain	93.4 % (255 of 273)	92.4 % (157 of 170)	94.9 % (93 of 98)	100.0 % (5 of 5)
Aromatic	100.0 % (44 of 44)	100.0 % (22 of 22)	100.0 % (20 of 20)	100.0 % (2 of 2)
Methyl	100.0 % (22 of 22)	100.0 % (11 of 11)	100.0 % (11 of 11)

1. Nedd4 WW1

GSPSPLPPGW EERQDVLGRT YYVNHESRTT QWKRPSPED

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

LACS Plot; CA

Referencing offset: -0.04 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.04 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: -0.05 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2N8S, Strand ID: A Detail

Release date

2016-02-21

Citation

Structural Studies of the Nedd4 WW Domains and their Selectivity for the Cx43 Carboxyl-terminus
Spagnol, G., Kieken, F., Kopanic, J.L., Li, H., Zach, S., Stauch, K.L., Grosely, R., Sorgen, P.L.
J. Biol. Chem. (2016), 291, 7637-7650, PubMed 26841867 , DOI 10.1074/jbc.M115.701417 , Abstract

Entries sharing articles BMRB: 3 entries Detail

  BMRB: 25865 released on 2016-02-21
    Title Solution Structure of the rNedd4 WW2 Domain-Cx43CT Peptide Complex by NMR
  BMRB: 25866 released on 2016-02-21
    Title Solution Structure of the rNedd4 WW2 Domain by NMR
  BMRB: 26698 released on 2016-02-21
    Title Backbone 1H, 13C, and 15N Chemical Shift Assignments for rNedd4 WW3 Domain

Related entities 1. rNedd4 WW1 Domain, : 1 : 193 entities Detail

Interaction partners 1. rNedd4 WW1 Domain, : 45 interactors Detail

More details for 45 interactors identified by 20 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

3 3D HNHA

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

4 3D HNCACB

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

6 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

7 3D 1H-13C NOESY aliphatic

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

8 3D 1H-13C NOESY aromatic

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW1	[U-98% 13C; U-98% 15N]		1 mM
2	potassium phosphate	natural abundance		1.8 mM
3	DTT	natural abundance		1 mM
4	sodium chloride	natural abundance		137 mM
5	potassium chloride	natural abundance		2.7 mM
6	sodium phosphate	natural abundance		10 mM

nullKeywords rNedd4 WW1