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Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III, fabh from pseudomonas aeruginosa PAO1

Analyse Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III, fabh from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2X3E
Type
protein
Length
642 residues
Chains
2
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
Q9HYR2
Pockets
7 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.180)protein32541% helix, 26% strandQ9HYR2
B3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.180)protein31741% helix, 27% strandQ9HYR2

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15120.780.8566empty
21060.720.9325empty
31210.700.9130empty
41070.400.7627empty
5830.350.7517empty

Interfaces

1 interface between chains.

  • A–B · 2395 Ų buried · 32 hydrogen bonds · protein-protein

Compared structures

  • 2X3E · Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III, FabH from Pseudomonas… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9HYR2 · 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 1.00

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