BMRB Entry 18498

Name: YAP WW2 in complex with a Smad7 derived peptide.
Published: 2012-11-19

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PDB ID: 2ltv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18498
MolProbity Validation Chart

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

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Title:

YAP WW2 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:
YAPWW2, polymer, 36 residues, 4191.631 Da.
SMAD7, polymer, 12 residues, 1407.580 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):
YAPWW2: GPLPDGWEQAMTQDGEIYYI NHKNKTTSWLDPRLDP
SMAD7: GSPPPPYSRYPMD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
1H chemical shifts	279

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	YAP WW2	1
2	Smad7 derived peptide	2

Entities:

Entity 1, YAP WW2 36 residues - 4191.631 Da.

1

GLY

PRO

LEU

PRO

ASP

GLY

TRP

GLU

GLN

ALA

2

MET

THR

GLN

ASP

GLY

GLU

ILE

TYR

ILE

3

ASN

HIS

LYS

ASN

LYS

THR

SER

TRP

LEU

4

ASP

PRO

ARG

LEU

ASP

PRO

Entity 2, Smad7 derived peptide 12 residues - 1407.580 Da.

1

GLY

SER

PRO

TYR

SER

ARG

TYR

2

PRO

MET

ASP

Samples:

Homonuclear: YAPWW2 1 mM; SMAD7 2 mM; TRIS, [U-100% 2H], 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

15N13C: YAPWW2, [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	17538
PDB	2LAW 2LTV
DBJ	BAG62143 BAH14487
EMBL	CCI79621 CCI79622
GB	EAW67013 ELW64947 EMP37969 ETE73276 KFP99983
REF	NP_001181974 XP_002822438 XP_003253086 XP_004052073 XP_004283405
AlphaFold	Q6DK23