Barium in PDB 1i0f: 1.6 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Aminooxyethyl Thymine in Place of T6, Ba-Form

The structure of 1.6 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Aminooxyethyl Thymine in Place of T6, Ba-Form, PDB code: 1i0f 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 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.990, 44.570, 45.120, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 21.2

The binding sites of Barium atom in the 1.6 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Aminooxyethyl Thymine in Place of T6, Ba-Form (pdb code 1i0f). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total only one binding site of Barium was determined in the 1.6 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Aminooxyethyl Thymine in Place of T6, Ba-Form, PDB code: 1i0f:

Barium binding site 1 out of 1 in the 1.6 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Aminooxyethyl Thymine in Place of T6, Ba-Form


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of 1.6 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Aminooxyethyl Thymine in Place of T6, Ba-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba22 b:35.3 occ:1.00 O A:HOH145 2.4 25.2 1.0 O B:HOH144 2.6 27.9 1.0 O A:HOH171 2.6 31.2 1.0 O6 A:DG3 2.8 18.8 1.0 O B:HOH213 2.8 22.0 0.5 O A:HOH118 3.1 30.7 1.0 O A:HOH180 3.5 37.4 1.0 C6 A:DG3 3.8 18.6 1.0 N7 A:DG3 3.9 18.5 1.0 N4 A:DC2 4.0 19.0 1.0 C5 A:DG3 4.2 18.4 1.0 N4 B:DC18 4.6 22.0 1.0 O A:HOH178 4.6 29.6 0.5 N6 B:DA17 4.7 18.2 1.0 O B:HOH111 4.7 25.1 1.0 C4 A:DC2 4.7 18.8 1.0 O4 A:DT4 4.8 16.1 1.0 O B:HOH205 4.9 27.7 0.5 O4 B:12716 4.9 19.6 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