Magnesium in PDB 7tzr: Crystal Structure of the E. Coli Thim Riboswitch Bound to N-Methyl-1- (Quinoxalin-6-Yl)Methanamine (Compound 16)

The structure of Crystal Structure of the E. Coli Thim Riboswitch Bound to N-Methyl-1- (Quinoxalin-6-Yl)Methanamine (Compound 16), PDB code: 7tzr was solved by A.Nuthanakanti, A.Serganov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.05 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	150.156, 29.608, 95.507, 90, 94.32, 90
R / Rfree (%)	20.4 / 26.1

The structure of Crystal Structure of the E. Coli Thim Riboswitch Bound to N-Methyl-1- (Quinoxalin-6-Yl)Methanamine (Compound 16) also contains other interesting chemical elements:

Potassium	(K)	1 atom
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of the E. Coli Thim Riboswitch Bound to N-Methyl-1- (Quinoxalin-6-Yl)Methanamine (Compound 16) (pdb code 7tzr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the E. Coli Thim Riboswitch Bound to N-Methyl-1- (Quinoxalin-6-Yl)Methanamine (Compound 16), PDB code: 7tzr:

Magnesium binding site 1 out of 1 in the Crystal Structure of the E. Coli Thim Riboswitch Bound to N-Methyl-1- (Quinoxalin-6-Yl)Methanamine (Compound 16)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the E. Coli Thim Riboswitch Bound to N-Methyl-1- (Quinoxalin-6-Yl)Methanamine (Compound 16) within 5.0Å range: probe atom residue distance (Å) B Occ X:Mg102 b:36.1 occ:1.00 O X:HOH203 2.8 29.4 1.0 O6 X:G78 2.9 28.5 1.0 O6 X:G72 3.0 50.5 1.0 O4 X:U59 3.1 24.1 1.0 N1 X:G78 3.5 34.9 1.0 C6 X:G78 3.6 27.7 1.0 O6 X:G60 3.6 33.5 1.0 N4 X:C58 3.7 23.5 1.0 C5 X:C58 3.9 23.2 1.0 C4 X:C58 4.0 24.3 1.0 C6 X:G72 4.0 53.3 1.0 C4 X:U59 4.1 25.0 1.0 OP2 X:C58 4.4 26.9 1.0 C5 X:U59 4.5 22.1 1.0 C6 X:G60 4.6 28.1 1.0 N1 X:G72 4.6 57.4 1.0 N6 X:A80 4.6 28.3 1.0 C2 X:G78 4.7 36.7 1.0 C6 X:C58 4.7 20.9 1.0 N1 X:G60 4.8 22.8 1.0 N3 X:C58 4.9 25.4 1.0 C5 X:G78 5.0 31.8 1.0 N2 X:G78 5.0 41.8 1.0

M.J.Zeller, O.Favorov, K.Li, A.Nuthanakanti, D.Hussein, A.Michaud, D.A.Lafontaine, S.Busan, A.Serganov, J.Aube, K.M.Weeks. Shape-Enabled Fragment-Based Ligand Discovery For Rna. Proc.Natl.Acad.Sci.Usa V. 119 60119 2022.
ISSN: ESSN 1091-6490
PubMed: 35561226
DOI: 10.1073/PNAS.2122660119