BMRB: 15153

Mouse Itch 3rd WW domain complex with the Epstein-Barr virus latent membrane protein 2A derived peptide EEPPPPYED

Authors

Macias, M.J., Shaw, A.Z., Martin-Malpartida, P., Morales, B., Ruiz, L., Ramirez-Espain, X., Yraola, F., Royo, M.

Assembly

WW3-PPPPYP

Entity

1. WW3 (polymer, Thiol state: not present), 37 monomers, 4270.658 Da Detail

GAMGPLPPGW EKRTDSNGRV YFVNHNTRIT QWEDPRS

2. Ligand (polymer, Thiol state: not present), 9 monomers, 1072.077 Da Detail

EEPPPPYED

Total weight

5342.7354 Da

Max. entity weight

4270.658 Da

Source organism

Mus musculus , Human gammaherpesvirus 4

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete1

Sequence coverage: 80.4 %, Completeness: 56.1 %, Completeness (bb): 45.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	56.1 % (302 of 538)	61.7 % (177 of 287)	58.9 % (122 of 207)	6.8 % (3 of 44)
Backbone	45.8 % (119 of 260)	47.7 % (42 of 88)	55.2 % (74 of 134)	7.9 % (3 of 38)
Sidechain	67.5 % (216 of 320)	67.8 % (135 of 199)	70.4 % (81 of 115)	0.0 % (0 of 6)
Aromatic	64.8 % (35 of 54)	74.1 % (20 of 27)	60.0 % (15 of 25)	0.0 % (0 of 2)
Methyl	91.7 % (22 of 24)	100.0 % (12 of 12)	83.3 % (10 of 12)

1. WW3

GAMGPLPPGW EKRTDSNGRV YFVNHNTRIT QWEDPRS

2. Ligand

EEPPPPYED

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	WW3	[U-100% 15N]		1.0 mM
2	Ligand	natural abundance		3.0 mM
3	Sodium Phosphate	natural abundance		20 mM
4	NaCl	natural abundance		100 mM
5	Sodium Azide	natural abundance		0.02 % v/v

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
6	WW3	[U-100% 13C; U-100% 15N]		1.0 mM
7	Ligand	natural abundance		3.0 mM
8	Sodium Phosphate	natural abundance		20 mM
9	NaCl	natural abundance		100 mM
10	Sodium Azide	natural abundance		0.02 % v/v

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
11	WW3	natural abundance		1.0 mM
12	Ligand	natural abundance		3.0 mM
13	Sodium Phosphate	natural abundance		20 mM
14	NaCl	natural abundance		100 mM
15	Sodium Azide	natural abundance		0.02 % v/v

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 78.3 %, Completeness: 49.1 %, Completeness (bb): 43.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	49.1 % (528 of 1076)	62.4 % (358 of 574)	31.2 % (129 of 414)	46.6 % (41 of 88)
Backbone	43.3 % (225 of 520)	61.9 % (109 of 176)	30.2 % (81 of 268)	46.1 % (35 of 76)
Sidechain	53.0 % (339 of 640)	62.6 % (249 of 398)	36.5 % (84 of 230)	50.0 % (6 of 12)
Aromatic	49.1 % (53 of 108)	66.7 % (36 of 54)	30.0 % (15 of 50)	50.0 % (2 of 4)
Methyl	68.8 % (33 of 48)	95.8 % (23 of 24)	41.7 % (10 of 24)

1. WW3

GAMGPLPPGW EKRTDSNGRV YFVNHNTRIT QWEDPRS

2. Ligand

EEPPPPYED

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	WW3	[U-100% 15N]		1.0 mM
2	Ligand	natural abundance		3.0 mM
3	Sodium Phosphate	natural abundance		20 mM
4	NaCl	natural abundance		100 mM
5	Sodium Azide	natural abundance		0.02 % v/v

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
6	WW3	[U-100% 13C; U-100% 15N]		1.0 mM
7	Ligand	natural abundance		3.0 mM
8	Sodium Phosphate	natural abundance		20 mM
9	NaCl	natural abundance		100 mM
10	Sodium Azide	natural abundance		0.02 % v/v

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
11	WW3	natural abundance		1.0 mM
12	Ligand	natural abundance		3.0 mM
13	Sodium Phosphate	natural abundance		20 mM
14	NaCl	natural abundance		100 mM
15	Sodium Azide	natural abundance		0.02 % v/v

Hide sample codition

Protein Blocks Logo

Calculated from 10 models in PDB: 2JO9, Strand ID: A, B Detail

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Release date

2007-10-23

Citation

NMR structural studies of the ItchWW3 domain reveal that phosphorylation at T30 inhibits the interaction with PPxY-containing ligands
Morales, B., Ramirez-Espain, X., Shaw, A.Z., Martin-Malpartida, P., Yraola, F., Sanchez-Till, E., Farrera, C., Celada, A., Royo, M., Macias, M.J.
Structure (2007), 15, 473-483, PubMed 17437719 , DOI 10.1016/j.str.2007.03.005 , Abstract

Related entities 1. WW3, : 439 entities Detail

Related entities 2. Ligand, : 3 entities Detail

Interaction partners 1. WW3, : 44 : 1 interactors Detail

Interaction partners 2. Ligand, : 2 interactors Detail

Experiments performed 9 experiments Detail