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E. COLI beta-ketoacyl-[acyl carrier protein] synthase III (fabh) with an acetylated cysteine and in complex with OXA(DETHIA)-coenzyme a

Analyse E. COLI beta-ketoacyl-[acyl carrier protein] synthase III (fabh) with an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
8D1U
Type
protein
Length
318 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-oxoacyl-[acyl-carrier-protein] synthase 3
EC
2.3.1.180
UniProt
P0A6R0
Ligands
UT7, CL
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.180)protein31840% helix, 25% strandP0A6R0

Ligands and binding sites

  • UT7 · oxa(dethia)-CoA · ligand · chains A
  • CL · Chloride ion · ion · 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
11750.670.8630UT7

Modifications

Observed in the structure: 1 modified (acetylation).

Compared structures

  • 8D1U · E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) with an acetylated… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A6R0 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 3… · a predicted model of the same protein · chain A against A, TM-score 0.99

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