BMRB Entry 18499

Name: YAP WW1 in complex with a Smad7 derived peptide.
Published: 2012-11-19

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PDB ID: 2ltw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18499
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

YAP WW1 in complex with a Smad7 derived peptide.

Deposition date:

2012-06-04

Original release date:

2012-11-19

Authors:

Macias, Maria; Aragon, Eric; Goerner, Nina; Xi, Qiaoran; Lopes, Tiago; Gao, Sheng; Massague, Joan

Citation:

Citation: Aragon, Eric; Goerner, Nina; Xi, Qiaoran; Gomes, Tiago; Gao, Sheng; Massague, Joan; Macias, Maria. "Structural Basis for the Versatile Interactions of Smad7 with Regulator WW Domains in TGF-beta Pathways" Structure 20, 1726-1736 (2012).
PubMed: 22921829

Assembly members:

Assembly members:
YAPWW1, polymer, 36 residues, 4151.635 Da.
SMAD7, polymer, 14 residues, 1593.747 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):
YAPWW1: DVPLPAGWEMAKTSSGQRYF LNHIDQTTTWQDPRKA
SMAD7: GESPPPPYSRYPMD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
1H chemical shifts	269

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	YAP WW1	1
2	Smad7 derived peptide	2

Entities:

Entity 1, YAP WW1 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, Smad7 derived peptide 14 residues - 1593.747 Da.

1

GLY

GLU

SER

PRO

TYR

SER

ARG

2

TYR

PRO

MET

ASP

Samples:

Homonuclear: YAPWW1 1 mM; SMAD7 2 mM; TRIS, [U-100% 2H], 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

15N13C: YAPWW1, [U-100% 13C; U-100% 15N], 1 mM; SMAD7 3 mM; TRIS, [U-100% 2H], 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 285 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

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

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	17539 17540
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	Q6DK23