GL1X · GenesisL1 explorer

MolNFT v1 · #59041 · protein

Tgt mutant in complex with queuine

3BLO · Queuine tRNA-ribosyltransferase: “Tgt mutant in complex with queuine”. X-ray diffraction, 2 ligands (QEI, ZN), 2 pockets (best druggability 0.63). MolNFT v1 #59041 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3BLO
Type
protein
Length
349 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
QEI, ZN
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AQueuine tRNA-ribosyltransferase (EC 2.4.2.29)protein34946% helix, 17% strandP28720

Ligands and binding sites

  • QEI · 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one · ligand · chains A
  • ZN · Zinc ion · metal · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12050.630.8328QEI
2510.270.7511empty

Compared structures

  • 3BLO · TGT mutant in complex with queuine · the same entry in another collection · chain A against A, TM-score 1.00

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