MolNFT v1 · #104250 · protein

TRNA-guanine transglycosylase (tgt) in complex with 6-amino-2- [(thiophen-2-YLMETHYL)AMINO]-1H,7H,8H-IMIDAZO[4,5-G]QUINAZOLIN-8-one

4Q4S · Queuine tRNA-ribosyltransferase: “TRNA-guanine transglycosylase (tgt) in complex with 6-amino-2…”. X-ray diffraction, 2 ligands (S98, ZN), 2 pockets (best druggability 0.60). MolNFT v1 #104250 on GenesisL1: 3D structure, binding…

PDB: 4Q4S
Type: protein
Length: 366 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: S98, ZN
Pockets: 2 · 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	366	46% helix, 18% strand	P28720

Ligands and binding sites

S98 · 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one · ligand · chains A
ZN · Zinc ion · metal · chains A
GOL · Glycerol · additive · 4 copies · 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	216	0.60	0.81	28	S98
2	50	0.34	0.79	14	empty

Compared structures

4Q4S · tRNA-Guanine Transglycosylase (TGT) in 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 4Q4S · PDBe 4Q4S · UniProt P28720

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