MolNFT v1 · #121591 · protein

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

5I00 · Queuine tRNA-ribosyltransferase: “TRNA guanine transglycosylase (tgt) in co-crystallized complex with 6…”. X-ray diffraction, 3 ligands (AFQ, ZN, CL), 2 pockets (best druggability 0.61). MolNFT v1 #121591 on GenesisL1: 3D structure…

PDB: 5I00
Type: protein
Length: 370 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: AFQ, ZN, CL
Pockets: 2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Queuine tRNA-ribosyltransferase (EC 2.4.2.29)	protein	370	46% helix, 17% strand	P28720

Ligands and binding sites

AFQ · 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one · ligand · chains A
ZN · Zinc ion · metal · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · 4 copies · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

2 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	179	0.61	0.83	36	AFQ, CL
2	66	0.32	0.76	17	GOL

Compared structures

5I00 · tRNA guanine transglycosylase (TGT) in co-crystallized complex with… · 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 5I00 · PDBe 5I00 · UniProt P28720

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