Barium in PDB 5wss: Crystal Structure of T-Hg-T Pair Containing Dna Duplex in the Presence BA2+

The structure of Crystal Structure of T-Hg-T Pair Containing Dna Duplex in the Presence BA2+, PDB code: 5wss was solved by J.H.Gan, H.H.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.99 / 1.45
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	40.997, 40.997, 24.928, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 19.3

The structure of Crystal Structure of T-Hg-T Pair Containing Dna Duplex in the Presence BA2+ also contains other interesting chemical elements:

Mercury

(Hg)

1 atom

The binding sites of Barium atom in the Crystal Structure of T-Hg-T Pair Containing Dna Duplex in the Presence BA2+ (pdb code 5wss). 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 T-Hg-T Pair Containing Dna Duplex in the Presence BA2+, PDB code: 5wss:

Barium binding site 1 out of 1 in the Crystal Structure of T-Hg-T Pair Containing Dna Duplex in the Presence BA2+


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 T-Hg-T Pair Containing Dna Duplex in the Presence BA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba102 b:15.9 occ:0.55 O4 A:DT6 2.6 17.8 1.0 O6 A:DG5 2.9 12.4 1.0 O A:HOH215 3.0 18.0 1.0 C6 A:DG5 3.8 10.6 1.0 C4 A:DT6 3.8 14.8 1.0 C5 A:DG5 4.4 9.8 1.0 N7 A:DG5 4.4 10.8 1.0 N4 A:DC7 4.5 10.2 1.0 HG A:HG101 4.5 13.0 0.3 C7 A:DT6 4.5 15.7 1.0 C5 A:DT6 4.7 14.6 1.0 N1 A:DG5 4.7 9.9 1.0 N3 A:DT6 4.7 14.0 1.0 O A:HOH227 4.8 20.4 1.0

H.H.Liu, C.Cai, P.Haruehanroengra, Q.Q.Yao, Y.Q.Chen, C.Yang, Q.Luo, B.X.Wu, J.X.Li, J.B.Ma, J.Sheng, J.H.Gan. Flexibility and Stabilization of Hgii-Mediated C:T and T:T Base Pairs in Dna Duplex Nucleic Acids Res. V. 45 2910 2017.
ISSN: ESSN 1362-4962
PubMed: 27998930
DOI: 10.1093/NAR/GKW1296