Calcium in PDB 2hom: Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Monophosphate

The structure of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Monophosphate, PDB code: 2hom 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 / 2.89
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	65.700, 65.700, 101.700, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 26.6

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

Magnesium

(Mg)

4 atoms

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

Calcium binding site 1 out of 2 in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Monophosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Monophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca100 b:71.6 occ:1.00 OP1 A:C63 2.2 74.8 1.0 OP2 A:U64 2.3 73.4 1.0 P A:U64 3.6 73.7 1.0 P A:C63 3.7 74.3 1.0 MG A:MG103 3.9 66.4 1.0 OP1 A:U64 4.1 70.5 1.0 O5' A:C63 4.2 74.6 1.0 O3' A:U62 4.4 78.3 1.0 O3' A:C63 4.4 71.5 1.0 OP2 A:C63 4.7 74.3 1.0 O5' A:U64 4.7 74.1 1.0 C3' A:C63 4.8 71.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Monophosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of An E. Coli Thi-Box Riboswitch Bound to Thiamine Monophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:90.5 occ:1.00 OP1 A:A69 2.3 76.3 1.0 P A:A69 3.7 74.6 1.0 O5' A:A69 4.2 75.2 1.0 O3' A:U68 4.4 73.7 1.0 OP2 A:A69 4.9 75.8 1.0 C5' A:A69 4.9 72.4 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