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BMRB: 18971

2M3O

Structure and dynamics of a human Nedd4 WW domain-ENaC complex

Authors

Bobby, R., Medini, K., Neudecker, P., Lee, V., MacDonald, F.J., Brimble, M.A., Lott, J., Dingley, A.J.

Assembly

WW3*-aENaC PY peptide complex

Entity

1. Nedd4 WW3* domain (polymer, Thiol state: not present), 43 monomers, 4963.543 Da Detail

GSMEQGFLPK GWEVRHAPNG RPFFIDHNTK TTTWEDPRLK IPA

2. alpha ENaC PY peptide (polymer, Thiol state: not present), 11 monomers, 1058.183 Da Detail

TAPPPAYATL G

Total weight

6021.726 Da

Max. entity weight

4963.543 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, order_parameters

Chem. Shift Complete1

Sequence coverage: 79.6 %, Completeness: 76.6 %, Completeness (bb): 79.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.6 % (484 of 632)	79.8 % (264 of 331)	70.8 % (177 of 250)	84.3 % (43 of 51)
Backbone	79.5 % (245 of 308)	79.0 % (83 of 105)	79.0 % (124 of 157)	82.6 % (38 of 46)
Sidechain	74.5 % (278 of 373)	80.1 % (181 of 226)	64.8 % (92 of 142)	100.0 % (5 of 5)
Aromatic	42.9 % (30 of 70)	65.7 % (23 of 35)	15.2 % (5 of 33)	100.0 % (2 of 2)
Methyl	69.6 % (32 of 46)	69.6 % (16 of 23)	69.6 % (16 of 23)

1. Nedd4 WW3* domain

GSMEQGFLPK GWEVRHAPNG RPFFIDHNTK TTTWEDPRLK IPA

2. alpha ENaC PY peptide

TAPPPAYATL G

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Nedd4 WW3* domain	[U-99% 13C; U-99% 15N]	1.1 mM
2	alpha ENaC PY peptide	natural abundance	2.2 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %
5	TSP	natural abundance	1 mM
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	Nedd4 WW3* domain	natural abundance	3.0 mM
9	alpha ENaC PY peptide	[U-99% 13C; U-99% 15N]	1.5 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium azide	natural abundance	0.1 %
12	TSP	natural abundance	1.0 mM
13	H2O	natural abundance	93 %
14	D2O	natural abundance	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
15	Nedd4 WW3* domain	[U-99% 15N]	1.61 mM
16	alpha ENaC PY peptide	natural abundance	4.38 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium azide	natural abundance	0.1 %
19	TSP	natural abundance	1 mM
20	H2O	natural abundance	93 %
21	D2O	natural abundance	7 %

Chem. Shift Complete2

Sequence coverage: 27.8 %, Completeness: 48.5 %, Completeness (bb): 51.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	48.5 % (613 of 1264)	49.7 % (329 of 662)	46.0 % (230 of 500)	52.9 % (54 of 102)
Backbone	51.1 % (315 of 616)	50.5 % (106 of 210)	51.0 % (160 of 314)	53.3 % (49 of 92)
Sidechain	46.9 % (350 of 746)	49.3 % (223 of 452)	43.0 % (122 of 284)	50.0 % (5 of 10)
Aromatic	27.1 % (38 of 140)	38.6 % (27 of 70)	13.6 % (9 of 66)	50.0 % (2 of 4)
Methyl	51.1 % (47 of 92)	50.0 % (23 of 46)	52.2 % (24 of 46)

1. Nedd4 WW3* domain

GSMEQGFLPK GWEVRHAPNG RPFFIDHNTK TTTWEDPRLK IPA

2. alpha ENaC PY peptide

TAPPPAYATL G

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Nedd4 WW3* domain	[U-99% 13C; U-99% 15N]	1.1 mM
2	alpha ENaC PY peptide	natural abundance	2.2 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %
5	TSP	natural abundance	1 mM
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	Nedd4 WW3* domain	natural abundance	3.0 mM
9	alpha ENaC PY peptide	[U-99% 13C; U-99% 15N]	1.5 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium azide	natural abundance	0.1 %
12	TSP	natural abundance	1.0 mM
13	H2O	natural abundance	93 %
14	D2O	natural abundance	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
15	Nedd4 WW3* domain	[U-99% 15N]	1.61 mM
16	alpha ENaC PY peptide	natural abundance	4.38 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium azide	natural abundance	0.1 %
19	TSP	natural abundance	1 mM
20	H2O	natural abundance	93 %
21	D2O	natural abundance	7 %

Protein Blocks Logo

Calculated from 15 models in PDB: 2M3O, Strand ID: P, W Detail

Heteronucl. T₁

102 T₁ values in 3 lists
Coherence Sz, Field strength (¹H) 799.857 MHz, 899.864 MHz, 600.17 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Heteronucl. T₂

102 T₂ values in 3 lists
Coherence S(+,-), Field strength (¹H) 799.857 MHz, 899.864 MHz, 600.17 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Heteronucl. NOE

102 NOE values in 3 lists
Value type peak height, Field strength (¹H) 799.857 MHz, 899.864 MHz, 600.17 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Heteronucl. T₁/T₂

102 T₁/T₂ values in 3 lists
Field strength (¹H) 799.857 MHz, 899.864 MHz, 600.17 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Order parameters

34 S² values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2013-06-03

Citation

Structure and dynamics of human Nedd4-1 WW3 in complex with the αENaC PY motif
Bobby, R., Medini, K., Neudecker, P., Lee, T., Brimble, M.A., McDonald, F.J., Lott, J., Dingley, A.J.
Biochim. Biophys. Acta (2013), 1834, 1632-1641, PubMed 23665454 , DOI 10.1016/j.bbapap.2013.04.031 , Abstract

Related entities 1. Nedd4 WW3* domain, : 146 entities Detail

Related entities 2. alpha ENaC PY peptide, : 1 : 4 entities Detail

Interaction partners 1. Nedd4 WW3* domain, : 45 interactors Detail

More details for 45 interactors identified by 20 citations

Experiments performed 41 experiments Detail

1 2D 1H-15N HSQC