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

The structure of Crystal Structure of C-Hg-T Pair Containing Dna Duplex, PDB code: 5wsq 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)	30.00 / 1.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	37.848, 51.138, 21.593, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 17.5

The binding sites of Mercury atom in the Crystal Structure of C-Hg-T Pair Containing Dna Duplex (pdb code 5wsq). 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 C-Hg-T Pair Containing Dna Duplex, PDB code: 5wsq:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Crystal Structure of C-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 C-Hg-T Pair Containing Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg101 b:9.3 occ:0.80 N3 A:DT6 2.1 9.5 1.0 N4 B:DC3 2.2 10.5 1.0 O6 A:DG7 2.9 13.6 1.0 O6 A:DG5 2.9 8.9 1.0 C2 A:DT6 3.0 9.8 1.0 C4 A:DT6 3.0 9.4 1.0 C4 B:DC3 3.0 10.0 1.0 O4 A:DT6 3.0 10.0 1.0 N3 B:DC3 3.1 10.5 1.0 O2 A:DT6 3.1 10.5 1.0 C6 A:DG7 3.1 12.9 1.0 O A:HOH210 3.2 17.9 1.0 C6 A:DG5 3.4 8.6 1.0 N1 A:DG7 3.7 12.6 1.0 C5 A:DG7 3.7 13.6 1.0 N1 A:DG5 3.8 8.3 1.0 N4 B:DC4 3.8 9.6 1.0 N3 B:DC4 3.9 9.3 1.0 C4 B:DC4 4.1 9.3 1.0 N7 A:DG7 4.2 14.6 1.0 N1 A:DT6 4.3 9.8 1.0 N4 B:DC2 4.3 11.5 1.0 C5 A:DT6 4.3 9.8 1.0 C5 B:DC3 4.4 10.1 1.0 C2 B:DC3 4.4 10.9 1.0 O A:HOH215 4.4 18.5 1.0 C5 A:DG5 4.4 8.9 1.0 C2 A:DG7 4.5 13.1 1.0 C4 A:DG7 4.5 14.5 1.0 O B:HOH206 4.6 14.7 1.0 C6 A:DT6 4.8 9.9 1.0 C2 B:DC4 4.8 9.6 1.0 N3 B:DC2 4.8 10.9 1.0 C2 A:DG5 4.9 8.6 1.0 C4 B:DC2 5.0 11.1 1.0 O2 B:DC3 5.0 12.2 1.0 N3 A:DG7 5.0 13.7 1.0

Mercury binding site 2 out of 2 in the Crystal Structure of C-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 C-Hg-T Pair Containing Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg101 b:10.1 occ:0.80 N3 B:DT6 2.1 10.7 1.0 N4 A:DC3 2.1 9.9 1.0 O6 B:DG5 2.8 9.4 1.0 O6 B:DG7 2.9 12.0 1.0 C4 A:DC3 3.0 9.9 1.0 C4 B:DT6 3.0 11.4 1.0 C2 B:DT6 3.0 11.2 1.0 N3 A:DC3 3.0 10.2 1.0 O4 B:DT6 3.0 12.0 1.0 O2 B:DT6 3.1 11.6 1.0 C6 B:DG7 3.2 11.4 1.0 O B:HOH223 3.2 21.5 1.0 C6 B:DG5 3.4 9.2 1.0 N1 B:DG7 3.7 11.3 1.0 N1 B:DG5 3.8 8.9 1.0 C5 B:DG7 3.8 12.3 1.0 N4 A:DC4 3.9 10.1 1.0 N3 A:DC4 4.1 9.6 1.0 N4 A:DC2 4.2 10.8 1.0 C4 A:DC4 4.3 10.0 1.0 N1 B:DT6 4.3 11.8 1.0 N7 B:DG7 4.3 12.8 1.0 C2 A:DC3 4.3 10.3 1.0 O B:HOH202 4.3 23.8 1.0 C5 B:DT6 4.3 11.9 1.0 C5 A:DC3 4.3 9.7 1.0 O A:HOH212 4.4 20.4 1.0 C5 B:DG5 4.4 9.6 1.0 C2 B:DG7 4.7 10.5 1.0 C4 B:DG7 4.7 12.6 1.0 C6 B:DT6 4.8 11.9 1.0 N3 A:DC2 4.8 10.5 1.0 C2 B:DG5 4.9 9.1 1.0 C4 A:DC2 4.9 10.8 1.0 O2 A:DC3 4.9 11.4 1.0 C2 A:DC4 5.0 9.8 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