Magnesium in PDB 2hop: Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine

The structure of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine, PDB code: 2hop 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)	15.00 / 3.30
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	61.300, 61.300, 103.600, 90.00, 90.00, 120.00
R / Rfree (%)	25.1 / 33.1

The structure of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine (pdb code 2hop). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine, PDB code: 2hop:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine


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 Pyrithiamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg93 b:31.8 occ:1.00 O6 A:G40 2.2 48.3 1.0 C6 A:G40 3.2 47.8 1.0 C5 A:G40 4.0 47.4 1.0 N1 A:G40 4.1 47.6 1.0 OP2 A:A43 4.3 41.9 1.0 N7 A:G40 4.3 47.9 1.0 OP1 A:G42 4.8 37.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg94 b:25.8 occ:1.00 N7 A:G81 3.9 38.4 1.0 O6 A:G83 4.4 33.2 1.0 O5' A:A80 4.6 53.6 1.0 C8 A:G81 4.7 38.8 1.0 O6 A:G81 4.8 41.1 1.0 OP2 A:U54 4.8 67.9 1.0 N7 A:G82 4.8 26.9 1.0 C5 A:G81 4.9 38.9 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Pyrithiamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg96 b:71.4 occ:1.00 N1 A:A44 3.6 55.3 1.0 OP2 A:G21 3.7 44.6 1.0 C2 A:A44 4.0 54.8 1.0 OP1 A:G21 4.1 43.4 1.0 P A:G21 4.3 44.3 1.0 C6 A:A44 4.6 55.3 1.0 O2' A:U20 4.8 35.0 1.0 N6 A:A44 4.8 56.2 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