Magnesium in PDB 6vwv: Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding

The structure of Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding, PDB code: 6vwv was solved by J.R.Stagno, Y.-X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.00 / 3.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	35.090, 25.490, 123.960, 90.01, 84.05, 68.89
R / Rfree (%)	24.6 / 27.9

The structure of Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Magnesium atom in the Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding (pdb code 6vwv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding, PDB code: 6vwv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg103 b:57.7 occ:1.00 OP1 A:A24 2.1 64.7 1.0 P A:A24 3.5 68.0 1.0 N7 A:G72 3.7 55.3 1.0 O6 A:G72 3.7 59.4 1.0 N7 A:A24 4.0 57.4 1.0 O5' A:A24 4.1 44.7 1.0 O4 A:U71 4.1 60.6 1.0 O3' A:A23 4.2 60.6 1.0 C5 A:U71 4.2 59.6 1.0 C4 A:U71 4.4 51.4 1.0 C8 A:A24 4.4 60.5 1.0 C6 A:G72 4.4 57.5 1.0 C5 A:G72 4.4 52.2 1.0 OP2 A:A24 4.6 57.1 1.0 C8 A:G72 4.8 50.4 1.0 C5 A:A24 5.0 50.8 1.0

Magnesium binding site 2 out of 2 in the Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Transitional Unit Cell 2 of Adenine Riboswitch Aptamer Crystal Phase Transition Upon Ligand Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:56.5 occ:1.00 OP1 B:A24 2.1 67.1 1.0 O6 B:G72 3.3 64.7 1.0 P B:A24 3.5 69.9 1.0 N7 B:G72 3.5 57.6 1.0 N7 B:A24 3.7 58.8 1.0 O5' B:A24 4.0 52.9 1.0 O4 B:U71 4.0 56.3 1.0 C6 B:G72 4.0 60.8 1.0 C8 B:A24 4.1 61.7 1.0 C5 B:G72 4.1 57.2 1.0 C4 B:U71 4.3 49.2 1.0 O3' B:A23 4.3 58.0 1.0 C5 B:U71 4.3 58.7 1.0 OP2 B:A24 4.6 61.0 1.0 C5 B:A24 4.6 54.4 1.0 C8 B:G72 4.7 51.0 1.0

S.Ramakrishnan, J.R.Stagno, C.Conrad, J.Ding, P.Yu, Y.Bhandari, A.Cantero-Camacho, Y.-T.Lee, G.Pauly, O.Yefanov, M.Wiedorn, J.Knoska, D.Oberthuer, T.A.White, A.Barty, V.Mariani, W.F.Heinz, V.Magidson, S.Lockett, M.S.Hunter, S.Boutet, N.Zatsepin, C.Li, T.D.Grant, J.C.H.Spence, H.N.Chapman, Y.-X.Wang. Synchronized Behaviors of Riboswitch Molecules in Crystals To Be Published.