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MolNFT v1 · #184608 · protein

Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine

7OVO · Queuine tRNA-ribosyltransferase accessory subunit 2: “Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine”. X-ray diffraction, 3 ligands (QEI, ZN, SO4), 11 pockets (best druggability 0.69). MolNFT v1 #184608…

PDB
7OVO
Type
protein
Length
755 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Queuine tRNA-ribosyltransferase accessory subunit 2; Queuine tRNA-ribosyltransferase…
EC
2.4.2.29
UniProt
B8ZXI1, Q9JMA2
Ligands
QEI, ZN, SO4
Pockets
11 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AQueuine tRNA-ribosyltransferase accessory subunit 2 (EC 2.4.2.29)protein36643% helix, 17% strandB8ZXI1
CQueuine tRNA-ribosyltransferase catalytic subunit 1 (EC 2.4.2.29)protein38944% helix, 16% strandQ9JMA2

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 C
  • ZN · Zinc ion · metal · 2 copies · chains A, C
  • SO4 · Sulfate ion · ion · 7 copies · chains A, C
  • DMS · Dimethyl sulfoxide · additive · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13730.690.8267empty
23460.670.8170DMS
31630.580.8229empty
41960.560.8030QEI
51170.450.7818empty

Interfaces

1 interface between chains.

  • A–C · 1544 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 7OVO · Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine · the same entry in another collection · chain A against A, TM-score 1.00
  • B8ZXI1 · AlphaFold monomer V2.0 prediction for queuine tRNA-ribosyltransferase accessory subunit 2… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q9JMA2 · AlphaFold monomer V2.0 prediction for queuine tRNA-ribosyltransferase catalytic subunit 1… · a predicted model of the same protein · chain C against A, TM-score 0.97

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