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MolNFT v1 · #91904 · protein

TRNA-guanine transglycosylase cocrystallized with pyridyl-alkine- substituted lin-benzoguanine ligand

4FR6 · Queuine tRNA-ribosyltransferase: “TRNA-guanine transglycosylase cocrystallized with pyridyl-alkine- substituted lin-benzoguanine ligand”. X-ray diffraction, 2 ligands (0V3, ZN), 3 pockets (best druggability 0.61). MolNFT v1 #91904…

PDB
4FR6
Type
protein
Length
342 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Queuine tRNA-ribosyltransferase
EC
2.4.2.29
UniProt
P28720
Ligands
0V3, ZN
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AQueuine tRNA-ribosyltransferase (EC 2.4.2.29)protein34248% helix, 15% strandP28720

Ligands and binding sites

  • 0V3 · 6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one · ligand · chains A
  • ZN · Zinc ion · metal · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12220.610.81360V3
2710.350.7619empty
3530.280.7512empty

Compared structures

  • 4FR6 · tRNA-Guanine Transglycosylase cocrystallized with pyridyl-alkine-substituted… · the same entry in another collection · chain A against A, TM-score 1.00

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