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MolNFT v1 · #125999 · protein

TRNA guanine transglycosylase (tgt) in co-crystallized complex (space group P21) with 6-amino-4-(2-((3AR,4R,6R,6AR)-6-methoxy-2,2- DIMETHYLTETRAHYDROFURO[3,4-D][1,3]DIOXOL-4-YL)ETHYL)-2-(methylamino)- 1H-IMIDAZO[4,5-G]QUINAZOLIN-8(7H)-one

5LPQ · Queuine tRNA-ribosyltransferase: “TRNA guanine transglycosylase (tgt) in co-crystallized complex (space group P21) with…”. X-ray diffraction, 2 ligands (72C, ZN), 4 pockets (best druggability 0.72). MolNFT v1 #125999 on GenesisL1…

PDB
5LPQ
Type
protein
Length
729 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Queuine tRNA-ribosyltransferase
EC
2.4.2.29
UniProt
P28720
Ligands
72C, ZN
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AQueuine tRNA-ribosyltransferase (EC 2.4.2.29)protein36545% helix, 18% strandP28720
BQueuine tRNA-ribosyltransferase (EC 2.4.2.29)protein36445% helix, 18% strandP28720

Ligands and binding sites

  • 72C · 4-[2-[(3~{A}~{R},4~{R},6~{R},6~{A}~{R})-4-methoxy-2,2-dimethyl-3~{A},4,6,6~{A}-tetrahydrofuro[3,4-D][1, 3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16770.720.797272C
25970.700.786672C
3790.310.7318empty
4600.270.7214empty

Interfaces

1 interface between chains.

  • A–B · 1539 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 5LPQ · tRNA guanine Transglycosylase (TGT) in co-crystallized complex (space group P21) with… · the same entry in another collection · chain A against A, TM-score 1.00

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