MolNFT v1 · #92715 · protein

TRNA guanine transglycosylase in complex with phenethyl substituted lin-benzohypoxanthine inhibitor

4GH3 · Queuine tRNA-ribosyltransferase: “TRNA guanine transglycosylase in complex with phenethyl substituted lin-benzohypoxanthine inhibitor”. X-ray diffraction, 2 ligands (0EV, ZN), 4 pockets (best druggability 0.60). MolNFT v1 #92715 on…

PDB: 4GH3
Type: protein
Length: 356 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: 0EV, ZN
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Queuine tRNA-ribosyltransferase (EC 2.4.2.29)	protein	356	47% helix, 17% strand	P28720

Ligands and binding sites

0EV · 4-{2-[(cyclohexylmethyl)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

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	195	0.60	0.82	31	0EV
2	60	0.57	0.89	18	empty
3	54	0.31	0.76	21	empty
4	51	0.30	0.77	14	empty

Compared structures

4GH3 · tRNA Guanine Transglycosylase in complex with phenethyl substituted lin-benzohypoxanthine… · 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 4GH3 · PDBe 4GH3 · UniProt P28720

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