Mercury in PDB 6sg6: Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide

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

The structure of Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide, PDB code: 6sg6 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)	39.98 / 0.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.336, 41.664, 72.230, 90.00, 104.42, 90.00
R / Rfree (%)	12.2 / 13.5

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

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

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide (pdb code 6sg6). 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 Furan-Containing Benzenesulfonamide, PDB code: 6sg6:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with 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 Furan-Containing Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg303 b:9.9 occ:0.40 HG A:BE7303 0.0 9.9 0.4 HG A:BE7303 1.1 8.3 0.4 C5 A:BE7303 1.7 8.2 0.4 C4 A:BE7303 2.2 9.6 0.4 C5 A:BE7303 2.3 11.0 0.4 SG A:CYS206 2.3 10.7 0.6 O A:GLN137 2.8 9.0 0.3 C6 A:BE7303 2.9 9.8 0.4 O A:GLU205 2.9 10.4 1.0 O A:GLN137 3.0 8.4 0.7 HA A:CYS206 3.1 12.5 0.4 HA A:CYS206 3.1 8.0 0.6 C4 A:BE7303 3.2 12.9 0.4 SG A:CYS206 3.2 7.2 0.4 C6 A:BE7303 3.2 12.5 0.4 C A:GLU205 3.3 8.5 1.0 HA A:PRO138 3.3 11.1 1.0 C A:GLN137 3.3 9.0 0.3 CB A:CYS206 3.4 9.9 0.6 C A:GLN137 3.4 8.9 0.7 CA A:CYS206 3.5 6.7 0.6 CA A:CYS206 3.5 10.4 0.4 N A:CYS206 3.5 10.1 0.4 H A:GLN137 3.6 11.4 0.7 HB3 A:CYS206 3.6 12.0 0.4 C3 A:BE7303 3.6 11.8 0.4 HB3 A:CYS206 3.6 11.8 0.6 CB A:CYS206 3.6 10.0 0.4 N A:CYS206 3.6 6.4 0.6 H A:GLN137 3.6 11.8 0.3 O A:HOH534 3.7 20.4 1.0 H A:GLU205 3.7 10.4 1.0 N A:GLN137 3.7 9.5 0.7 N A:GLN137 3.8 9.8 0.3 N A:PRO138 3.9 9.3 1.0 HB3 A:LEU204 3.9 13.1 1.0 O A:VAL135 4.0 12.4 1.0 N A:GLU205 4.0 8.7 1.0 CA A:PRO138 4.0 9.2 1.0 C7 A:BE7303 4.0 11.7 0.4 CA A:GLN137 4.1 9.6 0.7 CA A:GLN137 4.1 9.4 0.3 H A:CYS206 4.1 12.1 0.4 CA A:GLU205 4.2 8.7 1.0 HB2 A:CYS206 4.2 11.8 0.6 C A:GLN136 4.2 10.4 1.0 C2 A:BE7303 4.3 13.1 0.4 H A:CYS206 4.3 7.7 0.6 HA A:GLN136 4.4 13.4 1.0 HB2 A:GLU205 4.4 11.9 1.0 HA A:GLN137 4.4 11.6 0.7 HA A:GLN137 4.4 11.3 0.3 C3 A:BE7303 4.5 13.3 0.4 C A:VAL135 4.5 10.2 1.0 C7 A:BE7303 4.5 13.2 0.4 HB2 A:CYS206 4.6 12.0 0.4 HA A:VAL135 4.6 11.9 1.0 HD3 A:PRO138 4.7 13.0 1.0 CA A:GLN136 4.7 11.2 1.0 HB3 A:PRO138 4.7 13.0 1.0 C A:LEU204 4.7 8.2 1.0 O A:GLN136 4.8 11.8 1.0 CB A:GLU205 4.8 9.9 1.0 CB A:LEU204 4.9 10.9 1.0 CD A:PRO138 4.9 10.8 1.0 N A:GLN136 4.9 10.3 1.0 HA A:GLU205 5.0 10.4 1.0 C A:CYS206 5.0 7.3 0.6

Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with 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 Furan-Containing Benzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg303 b:8.3 occ:0.41 HG A:BE7303 0.0 8.3 0.4 HG A:BE7303 1.1 9.9 0.4 SG A:CYS206 1.4 10.7 0.6 C5 A:BE7303 2.2 8.2 0.4 SG A:CYS206 2.3 7.2 0.4 CB A:CYS206 2.9 9.9 0.6 O A:GLN137 3.0 9.0 0.3 O A:VAL135 3.0 12.4 1.0 C6 A:BE7303 3.1 9.8 0.4 HB3 A:CYS206 3.1 11.8 0.6 CB A:CYS206 3.1 10.0 0.4 HB3 A:CYS206 3.1 12.0 0.4 C4 A:BE7303 3.1 9.6 0.4 O A:GLN137 3.2 8.4 0.7 H A:GLN137 3.2 11.4 0.7 HB3 A:LEU204 3.3 13.1 1.0 HA A:CYS206 3.3 12.5 0.4 H A:GLN137 3.3 11.8 0.3 HA A:CYS206 3.3 8.0 0.6 C5 A:BE7303 3.3 11.0 0.4 CA A:CYS206 3.5 6.7 0.6 CA A:CYS206 3.5 10.4 0.4 C A:VAL135 3.6 10.2 1.0 HB2 A:CYS206 3.6 11.8 0.6 N A:CYS206 3.6 10.1 0.4 N A:GLN137 3.6 9.5 0.7 N A:GLN137 3.6 9.8 0.3 HA A:VAL135 3.6 11.9 1.0 C A:GLU205 3.7 8.5 1.0 O A:GLU205 3.7 10.4 1.0 N A:CYS206 3.7 6.4 0.6 C A:GLN137 3.7 9.0 0.3 C A:GLN137 3.7 8.9 0.7 H A:GLU205 3.9 10.4 1.0 O A:HOH534 3.9 20.4 1.0 HA A:GLN136 3.9 13.4 1.0 H A:CYS206 4.0 12.1 0.4 HB2 A:CYS206 4.0 12.0 0.4 C6 A:BE7303 4.1 12.5 0.4 N A:GLU205 4.1 8.7 1.0 C A:GLN136 4.1 10.4 1.0 HA A:PRO138 4.1 11.1 1.0 CA A:VAL135 4.2 9.9 1.0 CB A:LEU204 4.2 10.9 1.0 N A:GLN136 4.2 10.3 1.0 H A:CYS206 4.2 7.7 0.6 C4 A:BE7303 4.3 12.9 0.4 CA A:GLN136 4.3 11.2 1.0 CA A:GLN137 4.3 9.6 0.7 CA A:GLN137 4.3 9.4 0.3 HB2 A:LEU204 4.3 13.1 1.0 C7 A:BE7303 4.4 11.7 0.4 HB A:VAL135 4.4 12.8 1.0 C3 A:BE7303 4.4 11.8 0.4 HD13 A:LEU204 4.5 18.3 1.0 CA A:GLU205 4.5 8.7 1.0 C A:LEU204 4.5 8.2 1.0 N A:PRO138 4.5 9.3 1.0 O A:ALA134 4.6 9.6 1.0 HD22 A:LEU204 4.7 20.2 1.0 HA A:GLN137 4.7 11.6 0.7 HA A:GLN137 4.7 11.3 0.3 CA A:PRO138 4.8 9.2 1.0 CA A:LEU204 4.9 8.8 1.0 H A:GLN136 4.9 12.3 1.0 O A:GLN136 4.9 11.8 1.0 CB A:VAL135 4.9 10.6 1.0 C2 A:BE7303 4.9 13.1 0.4 C A:CYS206 4.9 7.3 0.6 HA A:LEU204 5.0 10.6 1.0 O A:HOH463 5.0 28.1 1.0 C A:CYS206 5.0 8.4 0.4

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