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BMRB: 25865

2N8T

Solution Structure of the rNedd4 WW2 Domain-Cx43CT Peptide Complex by NMR

Authors

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

Assembly

rNedd4 WW2 Domain-Cx43CT Peptide Complex

Entity

1. rNedd4 WW2 (polymer, Thiol state: not present), 39 monomers, 4429.663 Da Detail

GSSSGLPPGW EEKQDDRGRS YYVDHNSKTT TWSKPTMQD

2. Cx43CT peptide (polymer, Thiol state: not present), 14 monomers, 1616.704 Da Detail

APLXPMXPPG YKLV

Total weight

6046.367 Da

Max. entity weight

4429.663 Da

Source organism

Rattus norvegicus

Exptl. method

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 77.4 %, Completeness: 68.1 %, Completeness (bb): 59.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.1 % (399 of 586)	78.1 % (242 of 310)	53.7 % (122 of 227)	71.4 % (35 of 49)
Backbone	59.2 % (173 of 292)	72.0 % (72 of 100)	47.3 % (70 of 148)	70.5 % (31 of 44)
Sidechain	75.9 % (258 of 340)	81.0 % (170 of 210)	67.2 % (84 of 125)	80.0 % (4 of 5)
Aromatic	92.3 % (48 of 52)	100.0 % (26 of 26)	83.3 % (20 of 24)	100.0 % (2 of 2)
Methyl	66.7 % (20 of 30)	80.0 % (12 of 15)	53.3 % (8 of 15)

1. rNedd4 WW2

GSSSGLPPGW EEKQDDRGRS YYVDHNSKTT TWSKPTMQD

2. Cx43CT peptide

APLXPMXPPG YKLV

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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	sodium phosphate	natural abundance		10 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 2N8T, Strand ID: A, B 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: 25864 released on 2016-02-21
    Title Solution Structure of the rNedd4 WW1 Domain 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 WW2, : 311 entities Detail

Related entities 2. Cx43CT peptide, : 3 : 1 entities Detail

Interaction partners 1. rNedd4 WW2, : 3 interactors Detail

More details for 3 interactors identified by 3 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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	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	rNedd4 WW2	[U-98% 13C; U-98% 15N]		0.6 mM
2	Cx43CT peptide	natural abundance		13 mM
3	potassium phosphate	natural abundance		1.8 mM
4	DTT	natural abundance		1 mM
5	sodium chloride	natural abundance		137 mM
6	potassium chloride	natural abundance		2.7 mM
7	sodium phosphate	natural abundance		10 mM

nullKeywords Cx43CT, phosphorylation, rNedd4 WW2