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Structural and Functional Characterization of TRI3 Trichothecene 15-O-acetyltransferase from Fusarium sporotrichioides

Analyse Structural and Functional Characterization of TRI3 Trichothecene… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FOT
Type
protein
Length
505 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.75
Source
Fusarium sporotrichioides
Molecule
15-O-acetyltransferase
UniProt
Q9C1B7
Ligands
SO4
Pockets
7 · best druggability 0.81

Structure

x-ray diffraction · resolution 1.75 · 1 distinct chain · 42% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A15-O-acetyltransferaseprotein50542% helix, 22% strandQ9C1B7

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 5 copies · chains A
  • GOL · Glycerol · additive · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16410.810.8572GOL
21150.450.7819empty
31040.430.7825empty
4880.420.7924empty
5760.400.7817empty

Compared structures

  • 3FOT · Structural and functional characterization of TRI3 trichothecene 15-O- acetyltransferase… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9C1B7 · AlphaFold monomer V2.0 prediction for trichothecene 15-O-acetyltransferase TRI3 (Q9C1B7) · a predicted model of the same protein · chain A against A, TM-score 1.00

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