MolNFT v1 · #92838 · protein

TRNA guanine transglycosylase in complex with disubstituted lin- benzoguanine inhibitor

4GKT · Queuine tRNA-ribosyltransferase: “TRNA guanine transglycosylase in complex with disubstituted lin- benzoguanine inhibitor”. X-ray diffraction, 2 ligands (0O1, ZN), 3 pockets (best druggability 0.55). MolNFT v1 #92838 on GenesisL1…

PDB: 4GKT
Type: protein
Length: 354 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: 0O1, ZN
Pockets: 3 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Queuine tRNA-ribosyltransferase (EC 2.4.2.29)	protein	354	46% helix, 18% strand	P28720

Ligands and binding sites

0O1 · 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	190	0.55	0.79	35	0O1
2	52	0.28	0.75	13	empty
3	53	0.26	0.73	17	empty

Compared structures

4GKT · tRNA Guanine Transglycosylase in complex with disubstituted lin-benzoguanine inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P28720
Elsewhere: RCSB PDB 4GKT · PDBe 4GKT · UniProt P28720

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