Mercury in PDB 5wsr: Crystal Structure of T-Hg-T Pair Containing Dna Duplex

The structure of Crystal Structure of T-Hg-T Pair Containing Dna Duplex, PDB code: 5wsr 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)	21.57 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.524, 42.524, 25.027, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 18.8

The binding sites of Mercury atom in the Crystal Structure of T-Hg-T Pair Containing Dna Duplex (pdb code 5wsr). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Crystal Structure of T-Hg-T Pair Containing Dna Duplex, PDB code: 5wsr:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Crystal Structure of T-Hg-T Pair Containing Dna Duplex


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg101 b:11.8 occ:0.25 HG A:HG101 0.0 11.8 0.2 HG A:HG101 1.8 14.0 0.2 N3 A:DT6 2.0 18.9 1.0 C2 A:DT6 2.8 17.4 1.0 O2 A:DT6 2.9 18.6 1.0 C4 A:DT6 3.0 22.8 1.0 O4 A:DT6 3.2 28.4 1.0 N3 A:DC7 3.5 11.7 1.0 C2 A:DC7 3.6 11.6 1.0 C4 A:DC7 3.8 11.8 1.0 O2 A:DC7 3.9 15.6 1.0 N1 A:DG5 4.0 10.2 1.0 N1 A:DT6 4.1 16.4 1.0 N1 A:DC7 4.2 12.1 1.0 C5 A:DT6 4.3 20.2 1.0 N4 A:DC7 4.3 12.4 1.0 C5 A:DC7 4.5 11.7 1.0 O6 A:DG5 4.5 12.8 1.0 C6 A:DG5 4.6 11.6 1.0 C6 A:DC7 4.6 13.5 1.0 C6 A:DT6 4.7 17.9 1.0 C2 A:DG5 4.7 8.8 1.0 N2 A:DG5 4.7 10.9 1.0

Mercury binding site 2 out of 2 in the Crystal Structure of T-Hg-T Pair Containing Dna Duplex


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of T-Hg-T Pair Containing Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg101 b:14.0 occ:0.20 HG A:HG101 0.0 14.0 0.2 HG A:HG101 1.8 11.8 0.2 O4 A:DT6 2.0 28.4 1.0 N3 A:DT6 2.5 18.9 1.0 C4 A:DT6 2.6 22.8 1.0 O6 A:DG5 3.5 12.8 1.0 N4 A:DC7 3.7 12.4 1.0 N3 A:DC7 3.7 11.7 1.0 C2 A:DT6 3.8 17.4 1.0 C4 A:DC7 3.8 11.8 1.0 C6 A:DG5 4.0 11.6 1.0 C5 A:DT6 4.0 20.2 1.0 N1 A:DG5 4.0 10.2 1.0 O2 A:DT6 4.3 18.6 1.0 C2 A:DC7 4.5 11.6 1.0 O A:HOH226 4.5 41.9 1.0 C5 A:DC7 4.7 11.7 1.0 N1 A:DT6 4.8 16.4 1.0 C6 A:DT6 4.8 17.9 1.0 C7 A:DT6 4.8 19.8 1.0 O2 A:DC7 4.9 15.6 1.0 C5 A:DG5 5.0 12.4 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