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Found 1 Document (0.674 seconds)

BMRB: 17539

2LAX

Structure of first WW domain of human YAP in complex with a human Smad1 doubly-phosphorylated derived peptide.

Authors

Macias, M.J., Aragon, E., Goerner, N., Zaromytidou, A., Xi, Q., Escobedo, A., Massague, J.

Assembly

first WW domain of human YAP in complex with a human Smad1 doubly-phosphorilated derived peptide

Entity

1. first WW domain of human YAP (polymer, Thiol state: not present), 40 monomers, 4534.991 Da Detail

GAMEDVPLPA GWEMAKTSSG QRYFLNHIDQ TTTWQDPRKA

2. Smad1 doubly-phosphorilated derived peptide (polymer, Thiol state: not present), 9 monomers, 1135.957 Da Detail

SXYPHXPTS

Total weight

5670.948 Da

Max. entity weight

4534.991 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 73.5 %, Completeness: 70.5 %, Completeness (bb): 75.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	70.5 % (198 of 281)	70.5 % (198 of 281)
Backbone	75.0 % (69 of 92)	75.0 % (69 of 92)
Sidechain	68.3 % (129 of 189)	68.3 % (129 of 189)
Aromatic	62.1 % (18 of 29)	62.1 % (18 of 29)
Methyl	88.2 % (15 of 17)	88.2 % (15 of 17)

1. first WW domain of human YAP

GAMEDVPLPA GWEMAKTSSG QRYFLNHIDQ TTTWQDPRKA

2. Smad1 doubly-phosphorilated derived peptide

SXYPHXPTS

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	NEDD4LWW3	natural abundance	1 mM
2	SMAD3	natural abundance	3 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	2 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Sample #2

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

#	Name	Isotope labeling	Concentration
8	NEDD4LWW3	[U-100% 15N]	1 mM
9	SMAD3	natural abundance	3 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	100 mM
12	sodium azide	natural abundance	2 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

Sample #3

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

#	Name	Isotope labeling	Concentration
15	NEDD4LWW3	[U-100% 13C; U-100% 15N]	1 mM
16	SMAD3	natural abundance	3 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium chloride	natural abundance	100 mM
19	sodium azide	natural abundance	2 mM
20	H2O	natural abundance	90 %
21	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2LAX, 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 , Abstract

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: 17538 released on 2011-06-22
    Title Structure of the second WW domain from human YAP in complex with a human Smad1 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. first WW domain of human YAP, : 290 entities Detail

Experiments performed 5 experiments Detail

NMR combined restraints 3 contents Detail

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
2:1:SER:C	2:2:TPO:N	unknown	unknown	n/a
2:2:TPO:C	2:3:TYR:N	unknown	unknown	n/a
2:5:HIS:C	2:6:SEP:N	unknown	unknown	n/a
2:6:SEP:C	2:7:PRO:N	unknown	unknown	n/a

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	202	TPO	PHOSPHOTHREONINE	Coordinates
B	206	SEP	PHOSPHOSERINE	Coordinates

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	40	0	0	100.0
B	B	9	0	0	100.0

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	4		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	201		90.0 (chain: A, length: 40)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	275 (1)	noe	97.5 (chain: A, length: 40)

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
182	THR	HG1	4.762
192	HIS	HD1	6.592

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	241	197	81.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	80	69	86.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	161	128	79.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	15	83.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	23	18	78.3

Keywords CDK, signal transduction, SMAD, YAP

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_17539_2lax.nef
Input source #2: Coordindates	2lax.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

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Found 1 Document (0.674 seconds)

BMRB: 17539

Sample #1

Sample #2

Sample #3

Entries sharing articles BMRB: 8 entries Detail

Related entities 1. first WW domain of human YAP, : 290 entities Detail

Experiments performed 5 experiments Detail

Instrument

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Sample

Instrument

Sample

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NMR combined restraints 3 contents Detail