Mercury in PDB 6sfu: Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide, PDB code: 6sfu was solved by S.Gloeckner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.24 / 1.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.447, 41.620, 72.401, 90.00, 104.56, 90.00
R / Rfree (%)	12.6 / 13.8

The structure of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide (pdb code 6sfu). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide, PDB code: 6sfu:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg302 b:6.9 occ:0.35 HG A:BE7306 1.1 8.6 0.5 SG A:CYS206 1.5 9.0 0.7 HB3 A:CYS206 2.2 11.0 0.3 SG A:CYS206 2.4 6.8 0.3 CB A:CYS206 2.7 9.2 0.3 CB A:CYS206 2.9 6.9 0.7 O A:GLN137 3.0 7.4 0.7 O A:VAL135 3.1 11.1 1.0 HB3 A:CYS206 3.2 8.3 0.7 H A:GLN137 3.2 9.7 0.7 HB3 A:LEU204 3.3 10.5 1.0 H A:GLN137 3.3 9.8 0.3 HA A:CYS206 3.3 6.4 0.7 C5 A:BE7306 3.3 9.1 0.5 O A:GLN137 3.3 7.2 0.3 HB2 A:CYS206 3.5 11.0 0.3 CA A:CYS206 3.5 8.0 0.3 CA A:CYS206 3.5 5.3 0.7 HA A:CYS206 3.5 9.6 0.3 C A:VAL135 3.5 8.8 1.0 N A:GLN137 3.6 8.1 0.7 N A:GLN137 3.6 8.2 0.3 N A:CYS206 3.6 7.5 0.3 HA A:VAL135 3.6 10.2 1.0 HB2 A:CYS206 3.7 8.3 0.7 N A:CYS206 3.7 5.7 0.7 C A:GLU205 3.7 6.9 1.0 C A:GLN137 3.7 7.2 0.7 O A:GLU205 3.7 8.9 1.0 C A:GLN137 3.8 7.6 0.3 O A:HOH548 3.9 19.2 1.0 HA A:GLN136 3.9 11.3 1.0 H A:GLU205 3.9 8.4 1.0 H A:CYS206 4.0 8.9 0.3 C A:GLN136 4.1 8.8 1.0 N A:GLU205 4.1 7.0 1.0 C6 A:BE7306 4.1 10.3 0.5 N A:GLN136 4.1 8.9 1.0 CA A:VAL135 4.1 8.6 1.0 HA A:PRO138 4.2 10.0 1.0 CB A:LEU204 4.2 8.8 1.0 H A:CYS206 4.2 6.9 0.7 CA A:GLN136 4.2 9.4 1.0 C4 A:BE7306 4.3 10.7 0.5 CA A:GLN137 4.3 7.8 0.7 CA A:GLN137 4.3 7.8 0.3 HB2 A:LEU204 4.4 10.5 1.0 HB A:VAL135 4.4 11.9 1.0 C A:LEU204 4.5 6.8 1.0 HD13 A:LEU204 4.5 15.6 1.0 CA A:GLU205 4.5 7.5 1.0 N A:PRO138 4.6 7.8 1.0 O A:ALA134 4.6 8.2 1.0 HD22 A:LEU204 4.7 16.8 1.0 HA A:GLN137 4.7 9.3 0.7 HA A:GLN137 4.7 9.4 0.3 H A:GLN136 4.8 10.7 1.0 CA A:PRO138 4.8 8.4 1.0 O A:GLN136 4.8 10.2 1.0 CA A:LEU204 4.9 7.2 1.0 CB A:VAL135 4.9 9.9 1.0 C A:CYS206 4.9 7.5 0.3 C A:CYS206 5.0 5.7 0.7 HA A:LEU204 5.0 8.7 1.0

Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg306 b:8.6 occ:0.48 HG A:BE7306 0.0 8.6 0.5 HG A:HG302 1.1 6.9 0.3 C5 A:BE7306 2.3 9.1 0.5 SG A:CYS206 2.4 9.0 0.7 HB3 A:CYS206 2.5 11.0 0.3 O A:GLN137 2.9 7.4 0.7 O A:GLU205 3.0 8.9 1.0 HA A:CYS206 3.1 6.4 0.7 CB A:CYS206 3.1 9.2 0.3 C4 A:BE7306 3.1 10.7 0.5 O A:GLN137 3.2 7.2 0.3 C6 A:BE7306 3.2 10.3 0.5 HA A:CYS206 3.3 9.6 0.3 C A:GLN137 3.3 7.2 0.7 HA A:PRO138 3.3 10.0 1.0 SG A:CYS206 3.3 6.8 0.3 C A:GLU205 3.3 6.9 1.0 C A:GLN137 3.4 7.6 0.3 CB A:CYS206 3.5 6.9 0.7 CA A:CYS206 3.5 8.0 0.3 H A:GLN137 3.5 9.7 0.7 CA A:CYS206 3.5 5.3 0.7 H A:GLN137 3.6 9.8 0.3 N A:CYS206 3.6 7.5 0.3 N A:CYS206 3.7 5.7 0.7 O A:HOH548 3.7 19.2 1.0 N A:GLN137 3.7 8.1 0.7 HB3 A:CYS206 3.7 8.3 0.7 N A:GLN137 3.7 8.2 0.3 H A:GLU205 3.8 8.4 1.0 N A:PRO138 3.9 7.8 1.0 HB2 A:CYS206 4.0 11.0 0.3 HB3 A:LEU204 4.0 10.5 1.0 O A:VAL135 4.0 11.1 1.0 CA A:PRO138 4.0 8.4 1.0 CA A:GLN137 4.0 7.8 0.7 N A:GLU205 4.1 7.0 1.0 CA A:GLN137 4.1 7.8 0.3 C A:GLN136 4.2 8.8 1.0 H A:CYS206 4.2 8.9 0.3 CA A:GLU205 4.2 7.5 1.0 HB2 A:CYS206 4.3 8.3 0.7 HA A:GLN136 4.3 11.3 1.0 H A:CYS206 4.3 6.9 0.7 HA A:GLN137 4.4 9.3 0.7 HA A:GLN137 4.4 9.4 0.3 HB2 A:GLU205 4.4 9.7 1.0 C3 A:BE7306 4.4 11.1 0.5 C A:VAL135 4.5 8.8 1.0 C7 A:BE7306 4.5 11.0 0.5 HA A:VAL135 4.6 10.2 1.0 HD3 A:PRO138 4.6 11.3 1.0 CA A:GLN136 4.7 9.4 1.0 O A:GLN136 4.7 10.2 1.0 HB3 A:PRO138 4.7 12.0 1.0 C A:LEU204 4.8 6.8 1.0 N A:GLN136 4.9 8.9 1.0 CB A:GLU205 4.9 8.1 1.0 CD A:PRO138 4.9 9.4 1.0 CB A:LEU204 4.9 8.8 1.0 C2 A:BE7306 5.0 12.0 0.5 C A:CYS206 5.0 5.7 0.7

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide To Be Published.