Mercury 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:

Barium

(Ba)

1 atom

The binding sites of Mercury 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 Mercury atom.
In total only one binding site of Mercury was determined in the Crystal Structure of T-Hg-T Pair Containing Dna Duplex in the Presence BA2+, PDB code: 5wss:

Mercury 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 Mercury with other atoms in the Hg 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:Hg101 b:13.0 occ:0.30 N3 A:DT6 1.9 14.0 1.0 O A:HOH203 2.4 34.8 1.0 C4 A:DT6 2.7 14.8 1.0 O4 A:DT6 2.8 17.8 1.0 C2 A:DT6 2.9 14.6 1.0 O2 A:DT6 3.1 17.5 1.0 N3 A:DC7 3.5 11.6 1.0 C2 A:DC7 3.6 12.3 1.0 O2 A:DC7 3.8 15.1 1.0 N1 A:DG5 3.9 9.9 1.0 C4 A:DC7 4.0 10.2 1.0 C5 A:DT6 4.1 14.6 1.0 N1 A:DT6 4.1 15.4 1.0 N1 A:DC7 4.2 11.4 1.0 O6 A:DG5 4.3 12.4 1.0 C6 A:DG5 4.4 10.6 1.0 BA A:BA102 4.5 15.9 0.6 C2 A:DG5 4.5 10.5 1.0 N4 A:DC7 4.5 10.2 1.0 N2 A:DG5 4.5 11.1 1.0 C6 A:DT6 4.6 13.8 1.0 C5 A:DC7 4.6 9.9 1.0 C6 A:DC7 4.7 10.7 1.0 C1' A:DC7 4.9 11.7 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