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MolNFT v1 · #170717 · protein

TRNA-guanine transglycosylase (tgt) in co-crystallized complex with (E)-N-ethyl-4-oxo-4-phenylbut-2-enamide

6YGV · Queuine tRNA-ribosyltransferase: “TRNA-guanine transglycosylase (tgt) in co-crystallized complex with (E)-N-ethyl-4-oxo-4-phenylbut-2-enamide”. X-ray diffraction, 2 ligands (OQH, ZN), 4 pockets (best druggability 0.66). MolNFT v1…

PDB
6YGV
Type
protein
Length
367 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
OQH, ZN
Pockets
4 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AQueuine tRNA-ribosyltransferase (EC 2.4.2.29)protein36747% helix, 18% strandP28720

Ligands and binding sites

  • OQH · ~{N}-ethyl-4-oxidanylidene-4-phenyl-butanamide · ligand · chains A
  • ZN · Zinc ion · metal · chains A
  • GOL · Glycerol · additive · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12800.660.8245GOL
2760.410.7914empty
3780.390.7719empty
4600.340.7812empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 6YGV · tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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