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Glycerol kinase H232E with glycerol

Analyse Glycerol kinase H232E with glycerol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3H46
Type
protein
Length
1,000 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycerol kinase
EC
2.7.1.30
UniProt
O34153
Ligands
SO4
Pockets
11 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
X, OGlycerol kinase (EC 2.7.1.30)protein50037% helix, 24% strandO34153

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains X, O
  • GOL · Glycerol · additive · 2 copies · chains X, O
  • EDO · 1,2-ethanediol · additive · 2 copies · chains X, O

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14960.720.8252SO4, GOL
24290.720.8251SO4, GOL
31090.580.8520empty
41410.570.8323empty
52100.570.7928empty

Interfaces

1 interface between chains.

  • X–O · 550 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3H46 · Glycerol Kinase H232E with Glycerol · the same entry in another collection · chain X against X, TM-score 1.00
  • O34153 · AlphaFold monomer V2.0 prediction for glycerol kinase (O34153) · a predicted model of the same protein · chain X against A, TM-score 0.99

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