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Transketolase from escherichia COLI

Analyse Transketolase from escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1QGD
Type
protein
Length
1,324 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (transketolase)
EC
2.2.1.1
UniProt
P27302
Ligands
TPP, CA, SO4
Pockets
13 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtein (transketolase) (EC 2.2.1.1)protein66247% helix, 14% strandP27302

Ligands and binding sites

  • TPP · Thiamine diphosphate · ligand · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13660.770.8750TPP, SO4
23540.760.8750SO4, CA, TPP
38060.700.7693empty
42110.500.7629empty
52350.490.7534empty

Interfaces

1 interface between chains.

  • A–B · 4257 Ų buried · 69 hydrogen bonds · protein-protein

Compared structures

  • 1QGD · Transketolase from escherichia COLI · the same entry in another collection · chain A against A, TM-score 1.00
  • P27302 · AlphaFold monomer V2.0 prediction for transketolase 1 (P27302) · a predicted model of the same protein · chain A against A, TM-score 1.00

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