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MolNFT v1 · #117134 · protein

Acyl transferase from bacillaene pks

5DZ6 · Polyketide biosynthesis malonyl CoA-acyl carrier protein…: “Acyl transferase from bacillaene pks”. X-ray diffraction, 2 ligands (BR, CL), 1 pocket (best druggability 0.66). MolNFT v1 #117134 on GenesisL1: 3D structure, binding sites…

PDB
5DZ6
Type
protein
Length
288 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
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 · 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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