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Dimeric SEC14 family homolog 3 from saccharomyces cerevisiae presents some novel features of structure that lead to a surprising "dimer- monomer" state change induced by substrate binding

Analyse Dimeric SEC14 family homolog 3 from saccharomyces cerevisiae presents some… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4FMM
Type
protein
Length
649 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylinositol transfer protein PDR16
UniProt
P53860
Ligands
MG
Pockets
7 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphatidylinositol transfer protein PDR16protein32445% helix, 13% strandP53860
BPhosphatidylinositol transfer protein PDR16protein32545% helix, 13% strandP53860

Ligands and binding sites

  • MG · Magnesium ion · metal · 3 copies · chains A, B
  • GOL · Glycerol · additive · 9 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111420.860.8692GOL
2820.740.9728GOL
3590.660.9518GOL
42010.490.7629empty
5510.380.8117empty

Interfaces

1 interface between chains.

  • A–B · 1157 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4FMM · Dimeric Sec14 family homolog 3 from Saccharomyces cerevisiae presents some novel features… · the same entry in another collection · chain A against A, TM-score 1.00
  • P53860 · AlphaFold monomer V2.0 prediction for phosphatidylinositol transfer protein PDR16 (P53860) · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

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