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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
3FP0
Type
protein
Length
511 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.9
Source
Fusarium sporotrichioides
Molecule
15-O-acetyltransferase
UniProt
Q9C1B7
Ligands
FP0, GLC, Z9N
Pockets
6 · best druggability 0.80

Structure

x-ray diffraction · resolution 1.9 · 1 distinct chain · 41% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A15-O-acetyltransferaseprotein51141% helix, 22% strandQ9C1B7

Ligands and binding sites

  • FP0 · (3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate · ligand · chains A
  • GLC · alpha-D-glucopyranose · sugar · chains A
  • Z9N · alpha-D-fructofuranose · sugar · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15750.800.8669FP0
21650.480.7731empty
31290.430.7622empty
4800.320.7423empty
5560.310.7517empty

Compared structures

  • 3FP0 · 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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