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Acyl transferase from Bacillaene PKS

Analyse Acyl transferase from Bacillaene PKS in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5DZ6
Type
protein
Length
288 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.44
Source
Bacillus subtilis (strain 168)
Molecule
Polyketide biosynthesis malonyl CoA-acyl carrier protein transacylase PksC
EC
2.3.1.39
UniProt
O34825
Ligands
BR, CL
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · resolution 1.44 · 1 distinct chain · 51% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyketide biosynthesis malonyl CoA-acyl carrier protein transacylase PksC (EC 2.3.1.39)protein28851% helix, 15% strandO34825

Ligands and binding sites

  • BR · Bromide ion · ion · 2 copies · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • GOL · Glycerol · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12870.660.8244GOL, CL

Compared structures

  • 5DZ6 · Acyl transferase from bacillaene pks · the same entry in another collection · chain A against A, TM-score 1.00
  • O34825 · AlphaFold monomer V2.0 prediction for polyketide biosynthesis malonyl CoA-acyl carrier… · a predicted model of the same protein · chain A against A, TM-score 1.00

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