Potassium in PDB 6wzs: Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica

The structure of Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica, PDB code: 6wzs 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)	47.95 / 3.23
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.284, 90.284, 121.391, 90, 90, 120
R / Rfree (%)	22.4 / 25.9

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

Magnesium

(Mg)

8 atoms

The binding sites of Potassium atom in the Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica (pdb code 6wzs). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica, PDB code: 6wzs:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ B:K101 b:85.6 occ:0.50 O3' B:G21 2.8 82.4 1.0 O2' B:G21 3.0 110.2 1.0 C3' B:G21 3.5 78.7 1.0 C4' B:G21 3.6 88.9 1.0 OP2 A:A22 3.7 88.2 1.0 C2' B:G21 3.8 83.0 1.0 OP2 B:A22 3.9 81.0 1.0 P B:A22 4.0 107.2 1.0 C5' B:G21 4.5 77.6 1.0 O4' B:G21 4.5 82.3 1.0 P A:A22 4.6 103.7 1.0 O3' A:G21 4.7 84.8 1.0 C1' B:G21 4.7 79.4 1.0 OP1 A:A22 4.9 101.7 1.0 OP1 B:A22 4.9 152.0 1.0 O5' B:A22 5.0 95.9 1.0

Potassium binding site 2 out of 4 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ B:K102 b:165.2 occ:1.00 O4 B:U68 3.6 96.4 1.0 O6 B:G67 3.6 104.2 1.0 N7 B:G67 4.0 126.0 1.0 C6 B:G67 4.4 92.5 1.0 N4 B:C69 4.4 90.5 1.0 C5 B:G67 4.5 101.6 1.0 C4 B:U68 4.6 119.6 1.0 N4 B:C66 4.7 82.6 1.0 C5 B:C66 4.8 126.5 1.0 O6 B:G17 4.9 98.8 1.0 N6 B:A18 4.9 94.6 1.0 C4 B:C66 5.0 85.6 1.0

Potassium binding site 3 out of 4 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:140.5 occ:1.00 O6 A:G28 3.7 181.0 1.0 O6 A:G27 3.7 127.5 1.0 OP1 A:A18 4.1 141.5 1.0 O4 A:U26 4.3 149.5 1.0 N7 A:G27 4.4 132.2 1.0 C6 A:G27 4.6 129.4 1.0 C4 A:U26 4.7 128.0 1.0 C6 A:G28 4.8 136.5 1.0 C5 A:G27 4.8 129.1 1.0 N4 A:C35 4.8 186.4 1.0 C5 A:U26 4.8 139.3 1.0

Potassium binding site 4 out of 4 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Fusibacterium Ulcerans Ztp Riboswitch Bound to M-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:183.1 occ:1.00 O4 A:U68 3.1 216.6 1.0 O6 A:G67 3.7 153.7 1.0 N4 A:C66 3.9 129.8 1.0 C5 A:C66 4.3 114.7 1.0 C4 A:U68 4.3 207.7 1.0 N7 A:G67 4.3 114.8 1.0 C4 A:C66 4.3 127.9 1.0 N4 A:C69 4.4 185.1 1.0 C6 A:G67 4.6 154.1 1.0 C5 A:G67 4.8 136.2 1.0 O6 A:G17 5.0 134.4 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