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Structural basis of pxxdy motif recognition in SH3 binding

Analyse Structural basis of pxxdy motif recognition in SH3 binding in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2ROL
Type
protein
Length
76 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Epidermal growth factor receptor kinase substrate 8-like protein 1; 12-meric peptide from…
UniProt
Q8TE68, P07766
Pockets
1 · best druggability 0.30

Structure

solution nmr · 2 distinct chains · 4% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEpidermal growth factor receptor kinase substrate 8-like protein 1protein645% helix, 41% strandQ8TE68
B12-meric peptide from T-cell surface glycoprotein CD3 epsilon chainprotein120% helix, 0% strandP07766

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.300.7612empty

Interfaces

1 interface between chains.

  • A–B · 576 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 2ROL · Structural Basis of PxxDY motif recognition in SH3 binding · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8TE68 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor kinase substrate… · a predicted model of the same protein · chain A against A, TM-score 0.84
  • P07766 · AlphaFold monomer V2.0 prediction for T-cell surface glycoprotein CD3 epsilon chain… · a predicted model of the same protein · chain B against A, TM-score 0.33

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