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BMRB: 25349

5AHT

Nedd4 WW3

Authors

Lecher, J., Dingley, A., Panwalkar, V.

Assembly

WW3

Entity

1. WW3 (polymer, Thiol state: not present), 43 monomers, 4963.543 Da Detail

GSMEQGFLPK GWEVRHAPNG RPFFIDHNTK TTTWEDPRLK IPA

Formula weight

4963.543 Da

Source organism

Exptl. method

Refine. method

SEMI-AUTOMATED NOE ASSIGNMENT, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.7 %, Completeness: 93.5 %, Completeness (bb): 92.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.5 % (487 of 521)	94.5 % (260 of 275)	91.6 % (186 of 203)	95.3 % (41 of 43)
Backbone	92.3 % (229 of 248)	92.9 % (79 of 85)	91.2 % (114 of 125)	94.7 % (36 of 38)
Sidechain	94.9 % (296 of 312)	95.3 % (181 of 190)	94.0 % (110 of 117)	100.0 % (5 of 5)
Aromatic	85.5 % (53 of 62)	87.1 % (27 of 31)	82.8 % (24 of 29)	100.0 % (2 of 2)
Methyl	100.0 % (32 of 32)	100.0 % (16 of 16)	100.0 % (16 of 16)

1. E3 ubiquitin-protein ligase Nedd4

GSMEQGFLPK GWEVRHAPNG RPFFIDHNTK TTTWEDPRLK IPA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mM

#	Name	Isotope labeling	Type	Concentration
1	E3 ubiquitin-protein ligase Nedd4	[U-13C; U-15N]	protein	1.5 mM
2	Na2HPO4	natural abundance	buffer	20.0 mM
3	NaCl	natural abundance	salt	50.0 mM
4	DSS	natural abundance		0.1 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

LACS Plot; CA

Referencing offset: -0.22 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.22 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -0.16 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 5AHT, Strand ID: A Detail

Release date

2016-01-24

Citation

The Nedd4-1 WW Domain Recognizes the PY Motif Peptide through Coupled Folding and Binding Equilibria
Panwalkar, V., Neudecker, P., Schmitz, M., Lecher, J., Schulte, M., Medini, K., Stoldt, M., Brimble, M.A., Willbold, D., Dingley, A.J.
Biochemistry (2016), 55, 659-674, PubMed 26685112 , DOI 10.1021/acs.biochem.5b01028 , Abstract

Related entities 1. WW3, : 1 : 1 : 186 entities Detail

Interaction partners 1. WW3, : 45 interactors Detail

More details for 45 interactors identified by 20 citations

Experiments performed 6 experiments Detail

1 3D HNCO

Instrument

Bruker Avance - na MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mM

#	Name	Isotope labeling	Type	Concentration
1	E3 ubiquitin-protein ligase Nedd4	[U-13C; U-15N]	protein	1.5 mM
2	Na2HPO4	natural abundance	buffer	20.0 mM
3	NaCl	natural abundance	salt	50.0 mM
4	DSS	natural abundance		0.1 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

2 2D 1H-13C HSQC/HMQC

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mM

#	Name	Isotope labeling	Type	Concentration
1	E3 ubiquitin-protein ligase Nedd4	[U-13C; U-15N]	protein	1.5 mM
2	Na2HPO4	natural abundance	buffer	20.0 mM
3	NaCl	natural abundance	salt	50.0 mM
4	DSS	natural abundance		0.1 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

3 2D 1H-13C HSQC/HMQC

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mM

#	Name	Isotope labeling	Type	Concentration
1	E3 ubiquitin-protein ligase Nedd4	[U-13C; U-15N]	protein	1.5 mM
2	Na2HPO4	natural abundance	buffer	20.0 mM
3	NaCl	natural abundance	salt	50.0 mM
4	DSS	natural abundance		0.1 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

4 2D 1H-15N HSQC/HMQC

Instrument

Bruker Avance - na MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mM

#	Name	Isotope labeling	Type	Concentration
1	E3 ubiquitin-protein ligase Nedd4	[U-13C; U-15N]	protein	1.5 mM
2	Na2HPO4	natural abundance	buffer	20.0 mM
3	NaCl	natural abundance	salt	50.0 mM
4	DSS	natural abundance		0.1 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

5 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - na MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mM

#	Name	Isotope labeling	Type	Concentration
1	E3 ubiquitin-protein ligase Nedd4	[U-13C; U-15N]	protein	1.5 mM
2	Na2HPO4	natural abundance	buffer	20.0 mM
3	NaCl	natural abundance	salt	50.0 mM
4	DSS	natural abundance		0.1 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

6 3D 1H-13C NOESY aromatic

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mM

#	Name	Isotope labeling	Type	Concentration
1	E3 ubiquitin-protein ligase Nedd4	[U-13C; U-15N]	protein	1.5 mM
2	Na2HPO4	natural abundance	buffer	20.0 mM
3	NaCl	natural abundance	salt	50.0 mM
4	DSS	natural abundance		0.1 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

nullKeywords NMR, Protein dynamics, Protein structure, Protein-peptide complex, WW domain, Protein-Peptide complex, WW3