BMRB Entry 18501

Title:
NEDD4L WW2 domain in complex with a Smad7 derived peptide.   PubMed: 22921829
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).

Assembly members:

Assembly members:
NEDD4LWW2, polymer, 34 residues, 3966.401 Da.
SMAD7, polymer, 15 residues, 1778.969 Da.

Natural source:

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: petM11

Experimental source:

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: petM11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NEDD4LWW2: PGLPSGWEERKDAKGRTYYV NHNNRTTTWTRPIG
SMAD7: ELESPPPPYSRYPMD

Data sets:
Data typeCount
1H chemical shifts327

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1NEDD4LWW2 domain1
2Smad7 derived peptide2

Entities:

Entity 1, NEDD4LWW2 domain 34 residues - 3966.401 Da.

1   PROGLYLEUPROSERGLYTRPGLUGLUARG
2   LYSASPALALYSGLYARGTHRTYRTYRVAL
3   ASNHISASNASNARGTHRTHRTHRTRPTHR
4   ARGPROILEGLY

Entity 2, Smad7 derived peptide 15 residues - 1778.969 Da.

1   GLULEUGLUSERPROPROPROPROTYRSER
2   ARGTYRPROMETASP

Samples:

Homonuclear: NEDD4LWW2 1 mM; SMAD7 2 mM; TRIS, [U-100% 2H], 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

15N13C: NEDD4LWW2, [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:

NameSampleSample stateSample conditions
2D 1H-15N HSQC15N13Cisotropicsample_conditions_1
2D 1H-1H TOCSYHomonuclearisotropicsample_conditions_1
2D 1H-1H NOESYHomonuclearisotropicsample_conditions_1
3D CBCA(CO)NH15N13Cisotropicsample_conditions_1
3D HNCACB15N13Cisotropicsample_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

Related Database Links:

BMRB 17544 16923 18500 18502
PDB
GB ABU94641 AAB81246 AAB81353 AAB81354 AAC25062 AAD41130
DBJ BAG11040
EMBL CAA04182 CAA04183 CAG12446 CDQ87305 CDQ93148
REF NP_001036125 NP_001153135 NP_001177750 NP_001231104 NP_001268265
SP O15105 O35253 O88406
TPG DAA15864
AlphaFold O35253