Magnesium in PDB 7tzt: Crystal Structure of the E. Coli Thim Riboswitch in Complex with N1, N1-Dimethyl-N2-(Quinoxalin-6-Ylmethyl)Ethane-1,2-Diamine (Linked Compound 37)

The structure of Crystal Structure of the E. Coli Thim Riboswitch in Complex with N1, N1-Dimethyl-N2-(Quinoxalin-6-Ylmethyl)Ethane-1,2-Diamine (Linked Compound 37), PDB code: 7tzt 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)	47.00 / 2.96
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	61.018, 61.018, 102.855, 90, 90, 120
R / Rfree (%)	24.3 / 25.7

The structure of Crystal Structure of the E. Coli Thim Riboswitch in Complex with N1, N1-Dimethyl-N2-(Quinoxalin-6-Ylmethyl)Ethane-1,2-Diamine (Linked Compound 37) also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the E. Coli Thim Riboswitch in Complex with N1, N1-Dimethyl-N2-(Quinoxalin-6-Ylmethyl)Ethane-1,2-Diamine (Linked Compound 37) (pdb code 7tzt). 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 in Complex with N1, N1-Dimethyl-N2-(Quinoxalin-6-Ylmethyl)Ethane-1,2-Diamine (Linked Compound 37), PDB code: 7tzt:

Magnesium binding site 1 out of 1 in the Crystal Structure of the E. Coli Thim Riboswitch in Complex with N1, N1-Dimethyl-N2-(Quinoxalin-6-Ylmethyl)Ethane-1,2-Diamine (Linked Compound 37)


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 in Complex with N1, N1-Dimethyl-N2-(Quinoxalin-6-Ylmethyl)Ethane-1,2-Diamine (Linked Compound 37) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg103 b:155.9 occ:1.00 O3' A:A91 2.2 113.9 1.0 C3' A:A91 3.6 119.4 1.0 O2' A:A91 3.9 120.0 1.0 C2' A:A91 4.2 123.3 1.0 C4' A:A91 4.4 119.2 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