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Structure of the px domain from P40PHOX bound to phosphatidylinositol 3-phosphate

Analyse Structure of the px domain from P40PHOX bound to phosphatidylinositol… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1H6H
Type
protein
Length
143 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neutrophil cytosol factor 4
UniProt
Q15080
Ligands
PIB
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeutrophil cytosol factor 4protein14345% helix, 20% strandQ15080

Ligands and binding sites

  • PIB · 2-(butanoyloxy)-1-{[(hydroxy{[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl) oxy]methyl}ethyl butanoate · ligand · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11770.540.7918PIB

Compared structures

  • 1H6H · Structure of the PX domain from p40phox bound to phosphatidylinositol 3-phosphate · 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 0.94

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