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BMRB: 26698

1I5H

Backbone 1H, 13C, and 15N Chemical Shift Assignments for rNedd4 WW3 Domain

Authors

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

Assembly

rNedd4 WW3 Domain

Entity

1. rNedd4 WW3 Domain (polymer, Thiol state: all free), 39 monomers, 4590.055 Da Detail

GSLGPLPPGW EERTHTDGRV FFINHNIKKT QWEDPRMQN

Formula weight

4590.055 Da

Source organism

Rattus norvegicus

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 81.3 %, Completeness (bb): 80.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.3 % (387 of 476)	83.8 % (212 of 253)	75.7 % (137 of 181)	90.5 % (38 of 42)
Backbone	80.1 % (181 of 226)	93.6 % (73 of 78)	68.1 % (77 of 113)	88.6 % (31 of 35)
Sidechain	84.6 % (241 of 285)	79.4 % (139 of 175)	92.2 % (95 of 103)	100.0 % (7 of 7)
Aromatic	48.1 % (25 of 52)	7.7 % (2 of 26)	87.5 % (21 of 24)	100.0 % (2 of 2)
Methyl	100.0 % (26 of 26)	100.0 % (13 of 13)	100.0 % (13 of 13)

1. Nedd4 WW3

GSLGPLPPGW EERTHTDGRV FFINHNIKKT QWEDPRMQN

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 1 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.L., Stauch, K., Grosely, R.L., Sorgen, P.
J. Biol. Chem. (2016), 291, 7637-7650, PubMed 26841867 , DOI 10.1074/jbc.M115.701417 , Abstract

Related entities 1. rNedd4 WW3 Domain, : 1 : 2 : 442 entities Detail

Interaction partners 1. rNedd4 WW3 Domain, : 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 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

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 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

3 3D HNHA

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

4 3D HNCACB

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

6 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

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 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

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 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	Nedd4 WW3	[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	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr26698_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr26698_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_set	Warning	411		97.4 (chain: 1, length: 39)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: chemical_shift_set
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 39, Sequence coverage: 97.4%
- Total number of assignments
  - ¹H chemical shifts: 240
  - ¹³C chemical shifts: 133
  - ¹⁵N chemical shifts: 38
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords Cx43, NMR, Nedd4, WW domains