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Crystal structure of tdp-fucosamine acetyltransferase (wecd)- complex with acetyl-CoA

Analyse Crystal structure of tdp-fucosamine acetyltransferase (wecd)- complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2FT0
Type
protein
Length
444 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tdp-fucosamine acetyltransferase
UniProt
Q8FBQ3
Ligands
ACO
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTdp-fucosamine acetyltransferaseprotein22232% helix, 34% strandQ8FBQ3

Ligands and binding sites

  • ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14760.660.7846ACO
25160.660.7761ACO

Interfaces

1 interface between chains.

  • A–B · 1172 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 2FT0 · Crystal structure of TDP-fucosamine acetyltransferase (WecD)- complex with acetyl-CoA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8FBQ3 · AlphaFold monomer V2.0 prediction for dtdp-fucosamine acetyltransferase (Q8FBQ3) · a predicted model of the same protein · chain A against A, TM-score 0.97

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