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Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-SEC14 scaffold by directed evolution

Analyse Resurrection of a functional phosphatidylinositol transfer protein from a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3Q8G
Type
protein
Length
306 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cral-trio domain-containing protein YKL091C
UniProt
P33324
Ligands
PEE
Pockets
3 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACral-trio domain-containing protein YKL091Cprotein30652% helix, 11% strandP33324

Ligands and binding sites

  • PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine · ligand · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17690.870.9075PEE
22680.640.8138GOL
31670.610.8328empty

Compared structures

  • 3Q8G · Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14… · the same entry in another collection · chain A against A, TM-score 1.00
  • P33324 · AlphaFold monomer V2.0 prediction for cral-trio domain-containing protein YKL091C (P33324) · a predicted model of the same protein · chain A against A, TM-score 1.00

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