Barium in PDB 4o5z: O6-Carboxymethylguanine in Dna Forms A Sequence Context Dependent Wobble Base Pair Structure with Thymine

The structure of O6-Carboxymethylguanine in Dna Forms A Sequence Context Dependent Wobble Base Pair Structure with Thymine, PDB code: 4o5z was solved by F.Zhang, M.Tsunoda, K.Suzuki, Y.Kikuchi, O.Wilkinson, C.L.Millington, G.P.Margison, D.M.Williams, A.Takenaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.07 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.873, 41.764, 64.608, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 26.3

The structure of O6-Carboxymethylguanine in Dna Forms A Sequence Context Dependent Wobble Base Pair Structure with Thymine also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Barium atom in the O6-Carboxymethylguanine in Dna Forms A Sequence Context Dependent Wobble Base Pair Structure with Thymine (pdb code 4o5z). 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 O6-Carboxymethylguanine in Dna Forms A Sequence Context Dependent Wobble Base Pair Structure with Thymine, PDB code: 4o5z:

Barium binding site 1 out of 1 in the O6-Carboxymethylguanine in Dna Forms A Sequence Context Dependent Wobble Base Pair Structure with Thymine


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of O6-Carboxymethylguanine in Dna Forms A Sequence Context Dependent Wobble Base Pair Structure with Thymine within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba101 b:58.3 occ:0.70 O B:HOH246 2.4 45.8 1.0 O B:HOH245 2.7 44.5 1.0 O B:HOH229 2.8 38.9 1.0 O4 B:DT21 2.9 39.0 1.0 O A:HOH204 2.9 35.7 1.0 O B:HOH251 3.1 36.8 1.0 O B:HOH248 3.1 41.4 1.0 O6 B:DG22 3.2 32.0 1.0 O A:HOH217 3.6 49.1 1.0 C4 B:DT21 3.8 39.3 1.0 C6 B:DG22 4.1 29.5 1.0 N7 B:DG22 4.2 36.3 1.0 O A:HOH216 4.4 42.5 1.0 N3 B:DT21 4.4 39.1 1.0 C5 B:DG22 4.5 34.8 1.0 O7 A:C6G4 4.7 42.0 1.0 C5 B:DT21 4.7 40.7 1.0 N4 A:DC3 4.7 29.4 1.0 C7 B:DT21 4.8 41.9 1.0 O6 A:DG2 4.9 27.5 1.0 O A:HOH228 4.9 55.7 1.0

F.Zhang, M.Tsunoda, Y.Kikuchi, O.Wilkinson, C.L.Millington, G.P.Margison, D.M.Williams, A.Takenaka. O(6)-Carboxymethylguanine in Dna Forms A Sequence Context-Dependent Wobble Base-Pair Structure with Thymine Acta Crystallogr.,Sect.D V. 70 1669 2014.
ISSN: ISSN 0907-4449
PubMed: 24914978
DOI: 10.1107/S1399004714006178