Caesium in PDB 1i0j: 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt

The structure of 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt, PDB code: 1i0j was solved by V.Tereshko, C.J.Wilds, G.Minasov, T.P.Prakash, M.A.Maier, A.Howard, Z.Wawrzak, M.Manoharan, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.06
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.820, 44.330, 44.820, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 16.9

The binding sites of Caesium atom in the 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt (pdb code 1i0j). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt, PDB code: 1i0j:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in the 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs21 b:10.0 occ:1.00 O3' A:DG9 3.2 8.1 1.0 OP1 A:DC10 3.2 10.1 1.0 P A:DC10 3.8 8.2 1.0 O A:HOH146 4.3 28.2 1.0 C3' A:DG9 4.4 6.7 1.0 C4' A:DG9 4.5 7.7 1.0 C5' A:DC10 4.6 8.6 1.0 O5' A:DC10 4.8 7.5 1.0 OP2 A:DC10 5.0 11.4 1.0 C5' A:DG9 5.0 8.6 1.0

Caesium binding site 2 out of 3 in the 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs22 b:25.0 occ:1.00 O B:HOH192 2.6 30.0 1.0 O A:HOH191 2.9 19.3 1.0 O4 A:DT4 3.1 7.2 1.0 O B:HOH193 3.3 22.4 1.0 O A:HOH153 3.4 16.8 1.0 N7 A:DG3 3.5 8.6 1.0 O6 A:DG3 3.6 7.9 1.0 O B:HOH164 3.7 29.4 1.0 O A:HOH159 3.8 24.2 1.0 C5 A:DG3 3.8 7.9 1.0 C6 A:DG3 3.8 7.8 1.0 C7 A:DT4 3.9 8.2 1.0 N6 A:DA5 3.9 8.5 1.0 C4 A:DT4 4.1 7.6 1.0 N6 B:DA17 4.4 7.3 1.0 C8 A:DG3 4.4 8.3 1.0 C5 A:DT4 4.5 7.4 1.0 O4 B:T2316 4.8 7.7 1.0 C4 A:DG3 4.9 7.3 1.0 N6 B:DA15 4.9 7.5 1.0 N1 A:DG3 4.9 6.8 1.0 O B:HOH104 4.9 12.2 1.0 O A:HOH194 5.0 23.5 1.0 C6 A:DA5 5.0 7.3 1.0

Caesium binding site 3 out of 3 in the 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of 1.06 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Methyl-3'-Methylenephosphonate (T23) Thymine in Place of T6, High Cs-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs23 b:60.0 occ:1.00 OP2 A:DC10 2.9 11.4 1.0 P A:DC10 3.8 8.2 1.0 OP1 A:DC10 3.9 10.1 1.0 O3' A:DG9 4.8 8.1 1.0 OP1 A:DG9 4.9 11.4 1.0

V.Tereshko, C.J.Wilds, G.Minasov, T.P.Prakash, M.A.Maier, A.Howard, Z.Wawrzak, M.Manoharan, M.Egli. Detection of Alkali Metal Ions in Dna Crystals Using State-of-the-Art X-Ray Diffraction Experiments. Nucleic Acids Res. V. 29 1208 2001.
ISSN: ISSN 0305-1048
PubMed: 11222771
DOI: 10.1093/NAR/29.5.1208