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Pksg, a hmg-CoA synthase from bacillus subtilus

Analyse Pksg, a hmg-CoA synthase from bacillus subtilus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4YXV
Type
protein
Length
799 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyketide biosynthesis 3-hydroxy-3-methylglutaryl-acp synthase pksg
EC
2.3.3.-
UniProt
P40830
Pockets
6 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyketide biosynthesis 3-hydroxy-3-methylglutaryl-acp synthase pksg (EC 2.3.3.-)protein39837% helix, 26% strandP40830
BPolyketide biosynthesis 3-hydroxy-3-methylglutaryl-acp synthase pksg (EC 2.3.3.-)protein40138% helix, 25% strandP40830

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15410.730.8160empty
25550.730.8162empty
3530.630.9415empty
41600.590.8321empty
51830.570.8023empty

Interfaces

1 interface between chains.

  • A–B · 3011 Ų buried · 62 hydrogen bonds · protein-protein

Compared structures

  • 4YXV · PksG, a HMG-CoA Synthase from Bacillus subtilus · the same entry in another collection · chain A against A, TM-score 1.00
  • P40830 · AlphaFold monomer V2.0 prediction for polyketide biosynthesis… · a predicted model of the same protein · chain B against A, TM-score 1.00

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