MolNFT v1 · #62749 · protein

TRNA-guanine transglycosylase in complex with 6-amino-4-{2- [(CYCLOHEXYLMETHYL)AMINO]ETHYL}-2-(methylamino)-1,7-dihydro-8H- IMIDAZO[4,5-G]QUINAZOLIN-8-one

3EOS · Queuine tRNA-ribosyltransferase: “TRNA-guanine transglycosylase in complex with 6-amino-4-{2…”. X-ray diffraction, 2 ligands (PK2, ZN), 3 pockets (best druggability 0.60). MolNFT v1 #62749 on GenesisL1: 3D structure, binding sites…

PDB: 3EOS
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: PK2, ZN
Pockets: 3 · best druggability 0.60

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	356	46% helix, 18% strand	P28720

Ligands and binding sites

PK2 · 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one · ligand · chains A
ZN · Zinc ion · metal · chains A
GOL · Glycerol · additive · 2 copies · 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	145	0.60	0.84	30	PK2
2	84	0.43	0.80	22	empty
3	69	0.31	0.75	18	empty

Compared structures

3EOS · tRNA-guanine transglycosylase in complex with 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}… · 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 3EOS · PDBe 3EOS · UniProt P28720

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