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Solution structure of SMURF2 WW2 and WW3 bound to SMAD7 py motif containing peptide

Analyse Solution structure of SMURF2 WW2 and WW3 bound to SMAD7 py motif containing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2KXQ
Type: protein
Length: 110 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: E3 ubiquitin-protein ligase SMURF2; SMAD7 py motif containing peptide
UniProt: Q9HAU4
Pockets: 1 · best druggability 0.26

Structure

solution nmr · 2 distinct chains · 3% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	E3 ubiquitin-protein ligase SMURF2	protein	90	3% helix, 28% strand	Q9HAU4
B	SMAD7 py motif containing peptide	protein	20	0% helix, 0% strand	—

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	56	0.26	0.72	14	empty

Interfaces

1 interface between chains.

A–B · 664 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

2KXQ · Solution Structure of Smurf2 WW2 and WW3 bound to Smad7 PY motif containing peptide · the same entry in another collection · chain A against A, TM-score 1.00
Q9HAU4 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase SMURF2 (Q9HAU4) · a predicted model of the same protein · chain A against A, TM-score 0.73

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9HAU4
Elsewhere: RCSB PDB 2KXQ · PDBe 2KXQ · UniProt Q9HAU4

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