BMRB Entry 17540

Name: Structure of the first WW domain of human YAP in complex with a mono-phosphorylated human Smad1 derived peptide
Published: 2011-06-23

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PDB ID: 2lay
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17540
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2011-03-22

Original release date:

2011-06-23

Authors:

Macias, Maria; Aragon, Eric; Goerner, Nina; Zaromytidou, Alexia-Ileana; Xi, Qiaoran; Escobedo, Albert; Massague, Joan

Citation:

Citation: Aragon, Eric; Goerner, Nina; Zaromytidou, Alexia-Ileana; Xi, Qiaoran; Escobedo, Albert; Massague, Joan; Macias, Maria. "A Smad action turnover switch operated by WW domain readers of a phosphoserine code." Genes Dev. 25, 1275-1288 (2011).
PubMed: 21685363

Assembly members:

Assembly members:
human Yap, polymer, 36 residues, 4151.635 Da.
human Smad1 derived peptide, polymer, 9 residues, 1056.996 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETM11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
human Yap: DVPLPAGWEMAKTSSGQRYF LNHIDQTTTWQDPRKA
human Smad1 derived peptide: STYPHXPTS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	62
15N chemical shifts	28
1H chemical shifts	231

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	human Yap	1
2	human Smad1 derived peptide	2

Entities:

Entity 1, human Yap 36 residues - 4151.635 Da.

1

ASP

VAL

PRO

LEU

PRO

ALA

GLY

TRP

GLU

MET

2

ALA

LYS

THR

SER

GLY

GLN

ARG

TYR

PHE

3

LEU

ASN

HIS

ILE

ASP

GLN

THR

TRP

4

GLN

ASP

PRO

ARG

LYS

ALA

Entity 2, human Smad1 derived peptide 9 residues - 1056.996 Da.

1

SER

THR

TYR

PRO

HIS

SEP

PRO

THR

SER

Samples:

H: NEDD4LWW3 1 mM; SMAD1 3 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM; H2O 90%; D2O 10%

15N: NEDD4LWW3, [U-100% 15N], 1 mM; SMAD1 3 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM; H2O 90%; D2O 10%

15N13C: NEDD4LWW3, [U-100% 13C; U-100% 15N], 1 mM; SMAD1 3 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.420 M; pH: 7; pressure: 1 atm; temperature: 285 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	H	isotropic	sample_conditions_1
2D 1H-1H TOCSY	H	isotropic	sample_conditions_1
3D CBCA(CO)NH	15N13C	isotropic	sample_conditions_1
3D HNCACB	15N13C	isotropic	sample_conditions_1
2D 1H-15N HSQC	15N	isotropic	sample_conditions_1

Software:

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

XEASY, Bartels et al. - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Bruker DRX 600 MHz

BMRB	17539 18499
PDB	1JMQ 1K5R 1K9Q 1K9R 2LAX 2LAY 2LTW 4REX
DBJ	BAE34009 BAJ41471
EMBL	CAA56672
GB	EAW67012 EAW67014 EPY79954
REF	NP_001269026 NP_001269027 NP_001269028 NP_006097 XP_002799821
AlphaFold	Q9UFT8