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MolNFT v1 · #139189 · protein

Trehalose synthase from thermobaculum terrenum

5X7U: “Trehalose synthase from thermobaculum terrenum”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.80). MolNFT v1 #139189 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5X7U
Type
protein
Length
546 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trehalose synthase
UniProt
D1CE96
Ligands
MG
Pockets
5 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrehalose synthaseprotein54634% helix, 19% strandD1CE96

Ligands and binding sites

  • MG · Magnesium ion · metal · 4 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11490.800.9738TRS
21190.610.8623empty
31580.520.7924empty
4650.330.7616empty
5540.310.7614empty

Compared structures

  • 5X7U · Trehalose synthase from Thermobaculum terrenum · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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