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MolNFT v1 · #97920 · protein

Crystal structure of C143A xathomonas campestris olea

4KTI · 3-oxoacyl-[acp] synthase III: “Crystal structure of C143A xathomonas campestris olea”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #97920 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4KTI
Type
protein
Length
682 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-oxoacyl-[acp] synthase III
UniProt
Q8PDX2
Pockets
4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-oxoacyl-[acp] synthase IIIprotein34445% helix, 25% strandQ8PDX2
B3-oxoacyl-[acp] synthase IIIprotein33846% helix, 25% strandQ8PDX2

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12380.780.9145empty
25050.750.8380empty
31790.570.8129empty
41760.560.8023empty

Interfaces

1 interface between chains.

  • A–B · 2382 Ų buried · 44 hydrogen bonds · protein-protein

Compared structures

  • 4KTI · Crystal Structure of C143A Xathomonas campestris OleA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8PDX2 · AlphaFold monomer V2.0 prediction for acyl-COA:ACYL-CoA alkyltransferase (Q8PDX2) · a predicted model of the same protein · chain B against A, TM-score 0.99

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