SH3 domain of P40PHOX complexed with C-terminal polyproline region of P47PHOX

Structure

x-ray diffraction · 3 distinct chains · 4% helix, 35% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 2 copies · chains C, A, D
• SO4 · Sulfate ion · ion · 4 copies · chains A, B
• TFA · trifluoroacetic acid · additive · 2 copies · chains B, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Interfaces

4 interfaces between chains.

• A–C · 476 Ų buried · 6 hydrogen bonds · protein-protein
• B–D · 429 Ų buried · 4 hydrogen bonds · protein-protein
• A–B · 350 Ų buried · 5 hydrogen bonds · protein-protein
• A–D · 37 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

• 1W70 · SH3 domain of p40phox complexed with C-terminal polyProline region of p47phox · the same entry in another collection · chain A against A, TM-score 1.00
• Q15080 · AlphaFold monomer V2.0 prediction for neutrophil cytosol factor 4 (Q15080) · a predicted model of the same protein · chain A against A, TM-score 0.91
• P14598 · AlphaFold monomer V2.0 prediction for neutrophil cytosol factor 1 (P14598) · a predicted model of the same protein · chain D against A, TM-score 0.41

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 Q15080
• Every structure of UniProt P14598
• Elsewhere: RCSB PDB 1W70 · PDBe 1W70 · UniProt Q15080 · UniProt P14598