Caesium in PDB 4ena: Crystal Structure of Fluoride Riboswitch, Soaked in Cs+

The structure of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+, PDB code: 4ena was solved by A.M.Ren, K.R.Rajashankar, D.J.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.742, 77.149, 42.477, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 26.4

The structure of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Magnesium	(Mg)	7 atoms

The binding sites of Caesium atom in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ (pdb code 4ena). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+, PDB code: 4ena:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs101 b:0.8 occ:1.00 O A:HOH216 2.4 58.4 1.0 O A:HOH215 2.5 55.6 1.0 OP1 A:G5 2.5 60.1 1.0 O A:HOH218 2.6 60.2 1.0 P A:G5 3.9 53.7 1.0 O3' A:A6 4.1 51.3 1.0 OP1 A:U7 4.2 51.1 1.0 O5' A:A6 4.3 52.9 1.0 OP1 A:A6 4.3 53.8 1.0 O3' A:C4 4.7 55.5 1.0 C5' A:G5 4.7 55.4 1.0 OP2 A:G5 4.7 56.7 1.0 O5' A:G5 4.8 55.1 1.0 P A:U7 4.9 43.6 1.0 OP1 A:G8 4.9 53.4 1.0 P A:A6 5.0 50.5 1.0

Caesium binding site 2 out of 5 in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs102 b:0.6 occ:1.00 O A:HOH219 2.5 57.8 1.0 O A:HOH210 2.6 65.3 1.0 N7 A:G42 3.9 60.6 1.0 MG A:MG112 4.1 76.0 1.0 O3' A:U41 4.1 54.0 1.0 MG A:MG109 4.2 53.2 1.0 O2' A:U41 4.3 60.1 1.0 OP1 A:G42 4.5 55.4 1.0 O6 A:G42 4.5 65.2 1.0 O A:HOH217 4.5 63.4 1.0 N7 A:G5 4.7 57.2 1.0 C8 A:G42 4.7 60.7 1.0 C5 A:G42 4.8 63.6 1.0 P A:G42 5.0 52.5 1.0

Caesium binding site 3 out of 5 in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs103 b:0.5 occ:1.00 O2' A:U46 4.1 73.6 1.0 O4' A:C47 4.1 66.8 1.0 O2 A:U46 4.4 69.6 1.0 C1' A:C47 4.5 62.8 1.0 N3 A:G10 4.7 67.2 1.0 C4' A:C47 4.9 64.9 1.0 C2' A:U46 4.9 70.1 1.0

Caesium binding site 4 out of 5 in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs104 b:0.9 occ:1.00 O2 A:C37 2.7 59.2 1.0 C2 A:C37 3.9 57.0 1.0 O2 A:C25 4.0 52.0 1.0 O2' A:C37 4.0 62.2 1.0 N2 A:G24 4.1 51.7 1.0 N2 A:G36 4.1 54.1 1.0 O4' A:U38 4.1 56.5 1.0 C1' A:C37 4.4 59.8 1.0 C2' A:C37 4.4 61.5 1.0 C1' A:U38 4.6 52.2 1.0 N1 A:C37 4.7 56.8 1.0 N3 A:C37 4.9 54.0 1.0 O2' A:C25 4.9 54.5 1.0 N1 A:U38 5.0 50.9 1.0

Caesium binding site 5 out of 5 in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs105 b:0.9 occ:1.00 O A:HOH214 2.6 84.8 1.0 O A:HOH213 2.6 61.1 1.0 O6 A:G35 2.7 57.8 1.0 C6 A:G35 3.7 53.8 1.0 N7 A:G35 4.0 51.9 1.0 O6 A:G36 4.0 53.6 1.0 C5 A:G35 4.2 51.3 1.0 N7 A:G36 4.7 52.9 1.0 N1 A:G35 4.9 50.8 1.0 C6 A:G36 4.9 52.9 1.0

A.Ren, K.R.Rajashankar, D.J.Patel. Fluoride Ion Encapsulation By MG2+ Ions and Phosphates in A Fluoride Riboswitch. Nature V. 486 85 2012.
ISSN: ISSN 0028-0836
PubMed: 22678284
DOI: 10.1038/NATURE11152