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MolNFT v1 · #53833 · protein

Crystal structure of trehalose synthase tret from P. horikoshi

2X6Q · Trehalose-synthase tret: “Crystal structure of trehalose synthase tret from P. horikoshi”. X-ray diffraction, 4 pockets (best druggability 0.75). MolNFT v1 #53833 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2X6Q
Type
protein
Length
817 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trehalose-synthase tret
UniProt
O58762
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrehalose-synthase tretprotein40848% helix, 15% strandO58762
BTrehalose-synthase tretprotein40948% helix, 15% strandO58762

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19120.750.7876empty
210700.740.7770empty
310200.730.7669empty
4590.300.7416empty

Interfaces

1 interface between chains.

  • A–B · 304 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 2X6Q · Crystal structure of trehalose synthase TreT from P.horikoshi · the same entry in another collection · chain A against A, TM-score 1.00
  • O58762 · AlphaFold monomer V2.0 prediction for trehalose synthase (O58762) · a predicted model of the same protein · chain A against A, TM-score 0.99

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