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MolNFT v1 · #177731 · protein

A mutant of glycosyktransferase in complex with udp and reb D

7ES2 · Glycosyltransferase: “A mutant of glycosyktransferase in complex with udp and reb D”. X-ray diffraction, 2 ligands (UDP, JDO), 3 pockets (best druggability 0.81). MolNFT v1 #177731 on GenesisL1: 3D structure, binding sites and…

PDB
7ES2
Type
protein
Length
405 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycosyltransferase
EC
2.4.1.-
UniProt
Q0DPB7
Ligands
UDP, JDO
Pockets
3 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycosyltransferase (EC 2.4.1.-)protein40544% helix, 15% strandQ0DPB7

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · chains A
  • JDO · rebaudioside D · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17090.810.8569UDP, JDO
2750.560.8723empty
3850.380.7614empty

Compared structures

  • 7ES2 · a mutant of glycosyktransferase in complex with UDP and Reb D · the same entry in another collection · chain A against A, TM-score 1.00

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