Magnesium in PDB 2hol: Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Pyrophosphate, Barium Ions

The structure of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Pyrophosphate, Barium Ions, PDB code: 2hol was solved by T.E.Edwards, A.R.Ferre-D'amare, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.90
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	65.500, 65.500, 101.700, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 24.4

The structure of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Pyrophosphate, Barium Ions also contains other interesting chemical elements:

Barium	(Ba)	9 atoms
Calcium	(Ca)	4 atoms

The binding sites of Magnesium atom in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Pyrophosphate, Barium Ions (pdb code 2hol). 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 An E. Coli Thi-Box Riboswitch Bound to Thiamine Pyrophosphate, Barium Ions, PDB code: 2hol:

Magnesium binding site 1 out of 1 in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Pyrophosphate, Barium Ions


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 An E. Coli Thi-Box Riboswitch Bound to Thiamine Pyrophosphate, Barium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg119 b:35.8 occ:1.00 OP1 A:C73 2.3 33.0 1.0 O2' A:G21 2.5 25.1 1.0 O2' A:U71 2.8 31.7 1.0 N3 A:G21 2.9 16.7 1.0 C2' A:G21 3.0 22.4 1.0 O2 A:U71 3.5 34.0 1.0 C2' A:U71 3.6 28.8 1.0 N2 A:G21 3.6 16.0 1.0 C2 A:G21 3.7 18.4 1.0 C1' A:G21 3.7 23.0 1.0 O4' A:C22 3.7 28.4 1.0 P A:C73 3.7 31.3 1.0 C4 A:G21 3.9 16.3 1.0 C1' A:U71 4.0 29.5 1.0 N1 A:A43 4.1 20.5 1.0 N6 A:A43 4.1 15.8 1.0 C3' A:G72 4.1 39.2 1.0 N9 A:G21 4.2 19.8 1.0 C6 A:A43 4.3 18.4 1.0 C2' A:G72 4.4 43.1 1.0 C3' A:G21 4.4 22.6 1.0 C2 A:U71 4.4 33.5 1.0 O3' A:G72 4.5 33.6 1.0 OP2 A:C73 4.5 28.9 1.0 C8 A:G72 4.5 55.2 1.0 C1' A:C22 4.6 27.9 1.0 N7 A:G72 4.6 57.4 1.0 N9 A:G72 4.6 51.3 1.0 C4' A:C22 4.7 26.7 1.0 O5' A:C73 4.7 25.6 1.0 N1 A:U71 4.7 31.4 1.0 O3' A:G21 4.8 22.7 1.0 C5 A:G72 4.8 56.9 1.0 C4 A:G72 4.9 55.9 1.0 C5' A:C22 4.9 25.5 1.0 C2 A:A43 4.9 15.9 1.0

T.E.Edwards, A.R.Ferre-D'amare. Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive Rna-Small Molecule Recognition Structure V. 14 1459 2006.
ISSN: ISSN 0969-2126
PubMed: 16962976
DOI: 10.1016/J.STR.2006.07.008