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Structure of the second WW domain from human YAP in complex with a human Smad1 derived peptide
Authors
Macias, M.J., Aragon, E., Goerner, N., Zaromytidou, A., Xi, Q., Escobedo, A., Massague, J.
Assembly
second WW domain from human YAP in complex with a human Smad1 derived peptide
Entity
1. second WW domain from human YAP (polymer, Thiol state: not present), 38 monomers, 4363.793 Da Detail

GAMEGPLPDG WEQAMTQDGE IYYINHKNKT TSWLDPRL


2. human Smad1 derived peptide (polymer, Thiol state: not present), 12 monomers, 1293.418 Da Detail

TPPPAYLPPE DP


Total weight
5657.211 Da
Max. entity weight
4363.793 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 68.0 %, Completeness: 50.0 %, Completeness (bb): 57.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All50.0 % (291 of 582)63.8 % (196 of 307)28.1 % (64 of 228)66.0 % (31 of 47)
Backbone57.1 % (161 of 282)70.5 % (67 of 95)43.8 % (64 of 146)73.2 % (30 of 41)
Sidechain46.2 % (160 of 346)60.8 % (129 of 212)23.4 % (30 of 128)16.7 % (1 of 6)
Aromatic32.7 % (17 of 52)65.4 % (17 of 26) 0.0 % (0 of 24) 0.0 % (0 of 2)
Methyl39.5 % (15 of 38)73.7 % (14 of 19) 5.3 % (1 of 19)

1. second WW domain from human YAP

GAMEGPLPDG WEQAMTQDGE IYYINHKNKT TSWLDPRL

2. human Smad1 derived peptide

TPPPAYLPPE DP

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7, Details Unlabeled sample


#NameIsotope labelingTypeConcentration
1NEDD4LWW3natural abundance1 mM
2SMAD3natural abundance3 mM
3sodium phosphatenatural abundance20 mM
4sodium chloridenatural abundance100 mM
5sodium azidenatural abundance2 mM
6H2Onatural abundance90 %
7D2Onatural abundance10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7, Details 15N labeled sample


#NameIsotope labelingTypeConcentration
8NEDD4LWW3[U-100% 15N]1 mM
9SMAD3natural abundance3 mM
10sodium phosphatenatural abundance20 mM
11sodium chloridenatural abundance100 mM
12sodium azidenatural abundance2 mM
13H2Onatural abundance90 %
14D2Onatural abundance10 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7, Details 15N,13C labeled sample


#NameIsotope labelingTypeConcentration
15NEDD4LWW3[U-100% 13C; U-100% 15N]1 mM
16SMAD3natural abundance3 mM
17sodium phosphatenatural abundance20 mM
18sodium chloridenatural abundance100 mM
19sodium azidenatural abundance2 mM
20H2Onatural abundance90 %
21D2Onatural abundance10 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2LAW, Strand ID: A, B Detail


Release date
2011-06-22
Citation
A Smad action turnover switch operated by WW domain readers of a phosphoserine code
Aragon, E., Goerner, N., Zaromytidou, A., Xi, Q., Escobedo, A., Massague, J., Macias, M.J.
Genes. Dev. (2011), 25, 1275-1288, PubMed 21685363 , DOI 10.1101/gad.2060811 ,
Entries sharing articles BMRB: 8 entries Detail
  BMRB: 17529 released on 2011-06-22
    Title Third WW domain of human Nedd4L in complex with doubly phosphorylated human smad3 derived peptide.
  BMRB: 17539 released on 2011-06-22
    Title Structure of first WW domain of human YAP in complex with a human Smad1 doubly-phosphorylated derived peptide.
  BMRB: 17540 released on 2011-06-22
    Title Structure of the first WW domain of human YAP in complex with a mono-phosphorylated human Smad1 derived peptide
  BMRB: 17541 released on 2011-06-22
    Title Structure of the first domain of human Smurf1 in complex with a monophosphorylated human Smad1 derived peptide.
  BMRB: 17542 released on 2011-06-22
    Title Structure of the first domain of human Smurf1 in complex with a doubly phosphorylated human Smad1 derived peptide.
  BMRB: 17543 released on 2011-06-22
    Title Structure of the second domain of human Smurf1 in complex with a human Smad1 derived peptide containing a PY motif
  BMRB: 17544 released on 2011-06-22
    Title Structure of the second domain of human Nedd4L in complex with a doubly phosphorylated human Smad3 derived peptide.
  BMRB: 17545 released on 2011-06-22
    Title Structure of the first domain of human PIN1 in complex with a human Smad3 derived peptide.
Related entities 1. second WW domain from human YAP, : 398 entities Detail
Related entities 2. human Smad1 derived peptide, : 1 : 4 : 1 : 1 entities Detail
Interaction partners 1. second WW domain from human YAP, : 61 interactors Detail
Experiments performed 5 experiments Detail
NMR combined restraints 3 contents Detail
Keywords CDK, Nedd4L, signal transduction, SMAD