Potassium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Potassium 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 Potassium atom.
In total 5 binding sites of Potassium where determined in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica, PDB code: 6wzr:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-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 P-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:86.7 occ:0.50 O3' A:G21 2.6 63.7 1.0 OP2 B:A22 2.8 110.2 1.0 O2' A:G21 3.2 99.9 1.0 OP2 A:A22 3.3 60.7 1.0 P A:A22 3.5 87.8 1.0 C3' A:G21 3.6 69.1 1.0 C4' A:G21 3.9 74.7 1.0 P B:A22 3.9 98.5 1.0 C2' A:G21 4.0 82.4 1.0 O3' B:G21 4.1 81.5 1.0 OP1 A:A22 4.3 80.2 1.0 O5' B:A22 4.6 87.6 1.0 C5' A:G21 4.8 78.3 1.0 O5' A:A22 4.8 71.8 1.0 O4' A:G21 4.9 78.4 1.0 O2' B:G21 5.0 90.0 1.0

Potassium binding site 2 out of 5 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-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 P-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:154.0 occ:1.00 O6 A:G27 3.4 151.3 1.0 O4 A:U26 4.0 103.3 1.0 N7 A:G27 4.2 140.7 1.0 OP1 A:A18 4.3 104.8 1.0 C6 A:G27 4.3 127.0 1.0 O6 A:G28 4.3 103.4 1.0 C4 A:U26 4.5 104.7 1.0 C5 A:U26 4.6 102.5 1.0 C5 A:G27 4.7 125.8 1.0

Potassium binding site 3 out of 5 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-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 P-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ A:K104 b:202.7 occ:1.00 O6 A:G13 3.6 148.0 1.0 O4 A:U12 3.8 147.9 1.0 C6 A:G13 4.5 142.1 1.0 N1 A:G13 4.8 141.3 1.0 C4 A:U12 4.9 139.5 1.0

Potassium binding site 4 out of 5 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-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 P-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ A:K105 b:261.9 occ:1.00 O6 A:G67 3.5 122.4 1.0 O4 A:U68 3.7 103.5 1.0 N7 A:G67 3.7 115.2 1.0 N4 A:C66 4.1 75.8 1.0 C6 A:G67 4.2 108.5 1.0 C5 A:G67 4.3 103.7 1.0 C5 A:C66 4.3 103.7 1.0 C4 A:C66 4.4 88.3 1.0 C4 A:U68 4.7 116.9 1.0 C8 A:G67 4.8 106.4 1.0

Potassium binding site 5 out of 5 in the Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Fusibacterium Ulcerans Ztp Riboswitch Bound to P-1-Pyridinyl Aica within 5.0Å range: probe atom residue distance (Å) B Occ B:K102 b:164.8 occ:1.00 N7 B:G28 3.3 152.2 1.0 OP2 B:G28 3.3 182.8 1.0 C8 B:G28 3.7 143.9 1.0 C5 B:G28 4.4 131.2 1.0 O5' B:G28 4.5 135.6 1.0 P B:G28 4.5 146.7 1.0 N7 B:G27 4.6 141.4 1.0 C8 B:G27 4.7 139.8 1.0 N9 B:G28 4.9 121.8 1.0 C3' B:G27 5.0 137.2 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