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MolNFT v1 · #150782 · protein

Crystal structure of the human tgt catalytic subunit QTRT1

6H42 · Queuine tRNA-ribosyltransferase catalytic subunit 1: “Crystal structure of the human tgt catalytic subunit QTRT1”. X-ray diffraction, 5 ligands (GGL, K, ZN), 11 pockets (best druggability 0.70). MolNFT v1 #150782 on GenesisL1: 3D…

PDB
6H42
Type
protein
Length
784 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Queuine tRNA-ribosyltransferase catalytic subunit 1
EC
2.4.2.29
UniProt
Q9BXR0
Ligands
GGL, K, ZN, CL, BR
Pockets
11 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AQueuine tRNA-ribosyltransferase catalytic subunit 1 (EC 2.4.2.29)protein39341% helix, 17% strandQ9BXR0
BQueuine tRNA-ribosyltransferase catalytic subunit 1 (EC 2.4.2.29)protein39141% helix, 17% strandQ9BXR0

Ligands and binding sites

  • GGL · Gamma-L-glutamic acid · ligand · chains B
  • K · Potassium ion · metal · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · 10 copies · chains A, B
  • BR · Bromide ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15860.700.7971CL
24610.690.8057CL
36620.680.7668CL
41190.460.7822empty
5990.450.7918empty

Interfaces

1 interface between chains.

  • A–B · 736 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6H42 · crystal structure of the human TGT catalytic subunit QTRT1 · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9BXR0 · AlphaFold monomer V2.0 prediction for queuine tRNA-ribosyltransferase catalytic subunit 1… · a predicted model of the same protein · chain B against A, TM-score 0.96

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