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MolNFT v1 · #109849 · protein

Crystal structure of a transketolase from pseudomonas aeruginosa

4XEU: “Crystal structure of a transketolase from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.55). MolNFT v1 #109849 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4XEU
Type
protein
Length
632 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transketolase
EC
2.2.1.1
UniProt
Q9I5Y8
Ligands
CA
Pockets
4 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransketolase (EC 2.2.1.1)protein63248% helix, 14% strandQ9I5Y8

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11990.550.8042EDO
2710.340.7619empty
3670.330.7620empty
4770.320.7312empty

Compared structures

  • 4XEU · Crystal structure of a transketolase from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00

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