Magnesium in PDB 6wzr: Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica

The structure of Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica, PDB code: 6wzr was solved by P.Pichling, C.P.Jones, A.R.Ferre-D'amare, B.Tran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.24 / 3.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.991, 89.991, 122.834, 90, 90, 120
R / Rfree (%)	20.6 / 24.9

The structure of Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica also contains other interesting chemical elements:

Potassium

(K)

5 atoms

The binding sites of Magnesium atom in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica (pdb code 6wzr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica, PDB code: 6wzr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:102.2 occ:1.00 O A:HOH202 1.8 111.2 1.0 O A:HOH201 1.8 120.3 1.0 OP2 A:C35 2.0 115.2 1.0 OP1 A:U16 2.0 127.6 1.0 O03 A:UG1106 2.1 109.1 1.0 C02 A:UG1106 3.1 113.5 1.0 P A:U16 3.2 105.6 1.0 P A:C35 3.4 105.0 1.0 N01 A:UG1106 3.5 116.5 1.0 OP2 A:U16 3.8 99.6 1.0 O5' A:U16 3.8 111.2 1.0 C5' A:C35 3.9 98.1 1.0 O5' A:C35 4.1 91.8 1.0 O3' A:A34 4.2 102.4 1.0 O4' A:G17 4.2 96.6 1.0 C5' A:U16 4.4 84.8 1.0 C04 A:UG1106 4.4 102.5 1.0 C1' A:G17 4.4 72.7 1.0 O3' A:C15 4.4 106.8 1.0 OP1 A:C35 4.5 123.2 1.0 N3 A:G71 4.5 110.1 1.0 N06 A:UG1106 4.6 78.6 1.0 O2' A:G71 4.7 127.6 1.0 N2 A:G71 4.8 111.7 1.0 C05 A:UG1106 4.9 89.6 1.0

Magnesium binding site 2 out of 2 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:112.0 occ:1.00 OP1 B:U16 2.0 178.3 1.0 OP2 B:C35 2.1 187.8 1.0 O03 B:UG1103 2.8 178.9 1.0 N01 B:UG1103 3.1 156.9 1.0 P B:U16 3.3 137.2 1.0 C02 B:UG1103 3.3 163.1 1.0 P B:C35 3.5 150.5 1.0 C5' B:C35 3.7 138.7 1.0 OP2 B:U16 3.8 123.9 1.0 O5' B:C35 3.9 149.2 1.0 O5' B:U16 4.1 141.5 1.0 OP1 B:C35 4.4 173.1 1.0 C5' B:U16 4.4 127.7 1.0 O4' B:G17 4.5 133.2 1.0 N3 B:G71 4.5 146.2 1.0 O3' B:C15 4.5 129.1 1.0 O3' B:A34 4.5 166.1 1.0 N2 B:G71 4.6 145.1 1.0 C1' B:G17 4.8 106.4 1.0 C04 B:UG1103 4.8 153.8 1.0 C2 B:G71 4.9 144.7 1.0

B.Tran, P.Pichling, L.Tenney, C.M.Connelly, M.H.Moon, A.R.Ferre-D'amare, J.S.Schneekloth Jr., C.P.Jones. Parallel Discovery Strategies Provide A Basis For Riboswitch Ligand Design. Cell Chem Biol V. 27 1241 2020.
ISSN: ESSN 2451-9456
PubMed: 32795418
DOI: 10.1016/J.CHEMBIOL.2020.07.021