BMRB: 6459

Chemical Shift Assignment for Itch E3 WW3 domain

Authors

Shaw, A.Z., Martin-Malpartida, P., Morales, B., Yraola, F., Royo, M., Macias, M.J.

Assembly

Itch WW3 domain

Entity

1. Itch WW3 domain (polymer, Thiol state: all free), 37 monomers, 4270.658 Da Detail

GAMGPLPPGW EKRTDSNGRV YFVNHNTRIT QWEDPRS

Formula weight

4270.658 Da

Source organism

Mus musculus

Exptl. method

NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 68.4 %, Completeness (bb): 55.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	68.4 % (296 of 433)	74.7 % (171 of 229)	73.3 % (121 of 165)	10.3 % (4 of 39)
Backbone	55.1 % (118 of 214)	56.8 % (42 of 74)	68.2 % (73 of 107)	9.1 % (3 of 33)
Sidechain	83.7 % (211 of 252)	83.2 % (129 of 155)	89.0 % (81 of 91)	16.7 % (1 of 6)
Aromatic	67.4 % (31 of 46)	69.6 % (16 of 23)	71.4 % (15 of 21)	0.0 % (0 of 2)
Methyl	87.5 % (21 of 24)	91.7 % (11 of 12)	83.3 % (10 of 12)

1. WW 3 domain

GAMGPLPPGW EKRTDSNGRV YFVNHNTRIT QWEDPRS

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Sample

Temperature 285 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	WW 3 domain	[U-13C; U-15N]		1 mM
8	NaCl			100 mM
9	Na2HPO4			50 mM

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Chem. Shift Complete2

Sequence coverage: 97.3 %, Completeness: 61.3 %, Completeness (bb): 54.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	61.3 % (531 of 866)	76.6 % (351 of 458)	41.8 % (138 of 330)	53.8 % (42 of 78)
Backbone	54.0 % (231 of 428)	74.3 % (110 of 148)	40.2 % (86 of 214)	53.0 % (35 of 66)
Sidechain	66.9 % (337 of 504)	77.7 % (241 of 310)	48.9 % (89 of 182)	58.3 % (7 of 12)
Aromatic	48.9 % (45 of 92)	60.9 % (28 of 46)	35.7 % (15 of 42)	50.0 % (2 of 4)
Methyl	64.6 % (31 of 48)	87.5 % (21 of 24)	41.7 % (10 of 24)

1. WW 3 domain

GAMGPLPPGW EKRTDSNGRV YFVNHNTRIT QWEDPRS

Show sample condition

Sample

Temperature 285 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
4	WW 3 domain	[U-15N]		1 mM
5	NaCl			100 mM
6	Na2HPO4			50 mM

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Protein Blocks Logo

Calculated from 8 models in PDB: 1YIU, Strand ID: A Detail

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Release date

2005-09-21

Citation

Phosphorylation of either Ser16 or Thr30 does not disrupt the structure of the Itch E3 ubiquitin ligase third WW domain
Shaw, A.Z., Martin-Malpartida, P., Morales, B., Yraola, F., Royo, M., Macias, M.J.
Proteins (2005), 60, 558-560, PubMed 15971201 , DOI 10.1002/prot.20466 , Abstract

Related entities 1. Itch WW3 domain, : 1 : 1 : 1 : 549 entities Detail

Interaction partners 1. Itch WW3 domain, : 45 interactors Detail

Experiments performed 9 experiments Detail