Barium in PDB 1y7f: Crystal Structure of the A-Dna Gcgtat*Cgc with A 2'-O-[2- [Hydroxy(Methyleneamino)Oxy]Ethyl] Thymidine (T*)

The structure of Crystal Structure of the A-Dna Gcgtat*Cgc with A 2'-O-[2- [Hydroxy(Methyleneamino)Oxy]Ethyl] Thymidine (T*), PDB code: 1y7f was solved by M.Egli, G.Minasov, V.Tereshko, P.S.Pallan, M.Teplova, G.B.Inamati, E.A.Lesnik, S.R.Owens, B.S.Ross, T.P.Prakash, M.Manoharan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.989, 44.570, 45.115, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20

The binding sites of Barium atom in the Crystal Structure of the A-Dna Gcgtat*Cgc with A 2'-O-[2- [Hydroxy(Methyleneamino)Oxy]Ethyl] Thymidine (T*) (pdb code 1y7f). 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 Crystal Structure of the A-Dna Gcgtat*Cgc with A 2'-O-[2- [Hydroxy(Methyleneamino)Oxy]Ethyl] Thymidine (T*), PDB code: 1y7f:

Barium binding site 1 out of 1 in the Crystal Structure of the A-Dna Gcgtat*Cgc with A 2'-O-[2- [Hydroxy(Methyleneamino)Oxy]Ethyl] Thymidine (T*)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of the A-Dna Gcgtat*Cgc with A 2'-O-[2- [Hydroxy(Methyleneamino)Oxy]Ethyl] Thymidine (T*) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba100 b:23.9 occ:0.60 O A:HOH102 2.4 26.8 1.0 O B:HOH101 2.5 28.5 1.0 O A:HOH103 2.5 32.3 1.0 O B:HOH105 2.6 32.3 1.0 O A:HOH106 2.8 22.8 0.5 O6 A:DG3 2.8 17.3 1.0 O A:HOH104 2.9 20.6 0.7 O A:HOH180 3.3 33.8 1.0 O A:HOH106 3.3 32.9 0.5 C6 A:DG3 3.8 16.1 1.0 N7 A:DG3 3.9 18.0 1.0 N4 A:DC2 4.0 16.6 1.0 O A:HOH104 4.2 17.5 0.3 C5 A:DG3 4.3 17.3 1.0 O A:HOH178 4.5 24.6 0.5 N4 B:DC18 4.6 19.3 1.0 O B:HOH117 4.7 28.1 1.0 N6 B:DA17 4.7 15.3 1.0 C4 A:DC2 4.8 16.3 1.0 O4 A:DT4 4.8 15.0 1.0 O A:HOH163 4.9 21.3 0.5 O4 B:2NT16 5.0 18.7 1.0 O B:HOH186 5.0 25.2 0.5

M.Egli, G.Minasov, V.Tereshko, P.S.Pallan, M.Teplova, G.B.Inamati, E.A.Lesnik, S.R.Owens, B.S.Ross, T.P.Prakash, M.Manoharan. Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the Rna Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications. Biochemistry V. 44 9045 2005.
ISSN: ISSN 0006-2960
PubMed: 15966728
DOI: 10.1021/BI050574M