Mercury in PDB 6rfh: Human Carbonic Anhydrase II in Complex with 4- Carboxybenzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 4- Carboxybenzenesulfonamide:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with 4- Carboxybenzenesulfonamide, PDB code: 6rfh 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)	31.94 / 0.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.272, 41.457, 72.186, 90.00, 104.66, 90.00
R / Rfree (%)	12.1 / 13.6

The structure of Human Carbonic Anhydrase II in Complex with 4- Carboxybenzenesulfonamide also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with 4- Carboxybenzenesulfonamide (pdb code 6rfh). 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 4- Carboxybenzenesulfonamide, PDB code: 6rfh:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with 4- Carboxybenzenesulfonamide


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 4- Carboxybenzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg302 b:11.1 occ:0.18 HG A:BE7304 1.3 8.7 0.5 SG A:CYS206 1.3 7.6 0.5 HB3 A:CYS206 1.8 10.9 0.3 O A:HOH561 2.2 20.7 1.0 SG A:CYS206 2.3 10.7 0.2 HB3 A:CYS206 2.7 11.5 0.2 CB A:CYS206 2.7 9.1 0.3 CB A:CYS206 2.8 7.8 0.5 CB A:CYS206 2.9 9.6 0.2 HB3 A:CYS206 3.1 9.3 0.5 O A:VAL135 3.2 13.6 1.0 HB2 A:CYS206 3.2 10.9 0.3 O A:GLN137 3.2 10.0 1.0 HB3 A:LEU204 3.3 10.2 1.0 HA A:CYS206 3.3 8.0 0.5 HA A:CYS206 3.4 9.9 0.2 H A:GLN137 3.4 12.8 1.0 HA A:CYS206 3.4 9.1 0.3 C5 A:BE7304 3.4 9.5 0.5 CA A:CYS206 3.5 7.6 0.3 CA A:CYS206 3.5 6.7 0.5 CA A:CYS206 3.5 8.3 0.2 HB2 A:CYS206 3.5 9.3 0.5 C A:VAL135 3.5 12.2 1.0 HA A:VAL135 3.6 14.6 1.0 N A:GLN137 3.6 10.7 1.0 N A:CYS206 3.6 8.0 0.2 N A:CYS206 3.7 7.0 0.5 N A:CYS206 3.7 7.4 0.3 O A:GLU205 3.7 9.1 1.0 C A:GLU205 3.8 7.6 1.0 HB2 A:CYS206 3.8 11.5 0.2 HA A:GLN136 3.8 16.5 1.0 O A:HOH566 3.8 15.1 1.0 C A:GLN137 3.8 9.2 1.0 SG A:CYS206 3.9 10.1 0.3 H A:GLU205 4.0 8.8 1.0 C A:GLN136 4.0 12.6 1.0 HG A:CYS206 4.0 12.1 0.3 H A:CYS206 4.1 9.6 0.2 C6 A:BE7304 4.1 11.0 0.5 N A:GLN136 4.1 12.6 1.0 CA A:VAL135 4.1 12.2 1.0 N A:GLU205 4.2 7.4 1.0 CA A:GLN136 4.2 13.8 1.0 H A:CYS206 4.2 8.4 0.5 CB A:LEU204 4.2 8.5 1.0 HA A:PRO138 4.2 12.7 0.5 H A:CYS206 4.3 8.8 0.3 HA A:PRO138 4.3 12.6 0.5 C4 A:BE7304 4.3 9.6 0.5 CA A:GLN137 4.3 9.9 1.0 HB A:VAL135 4.4 14.6 1.0 HB2 A:LEU204 4.5 10.2 1.0 HD13 A:LEU204 4.5 14.4 1.0 O A:HOH623 4.5 39.7 1.0 C A:LEU204 4.6 7.1 1.0 HD22 A:LEU204 4.6 15.2 1.0 CA A:GLU205 4.6 7.9 1.0 O A:ALA134 4.7 9.9 1.0 N A:PRO138 4.7 10.2 0.5 N A:PRO138 4.7 9.9 0.5 O A:GLN136 4.7 14.5 1.0 H A:GLN136 4.8 15.1 1.0 HA A:GLN137 4.8 11.9 1.0 CB A:VAL135 4.9 12.1 1.0 C A:CYS206 4.9 7.2 0.3 O A:HOH578 4.9 37.5 1.0 CA A:LEU204 4.9 7.5 1.0 CA A:PRO138 4.9 10.6 0.5 C A:CYS206 4.9 6.6 0.5 CA A:PRO138 4.9 10.5 0.5 C A:CYS206 5.0 7.2 0.2

Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with 4- Carboxybenzenesulfonamide


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 4- Carboxybenzenesulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg304 b:8.7 occ:0.50 HG A:BE7304 0.0 8.7 0.5 HG A:HG302 1.3 11.1 0.2 C5 A:BE7304 2.2 9.5 0.5 SG A:CYS206 2.3 7.6 0.5 HB3 A:CYS206 2.5 10.9 0.3 O A:HOH561 2.7 20.7 1.0 O A:GLN137 3.0 10.0 1.0 O A:GLU205 3.0 9.1 1.0 HA A:CYS206 3.0 9.9 0.2 HB3 A:CYS206 3.0 11.5 0.2 HA A:CYS206 3.1 8.0 0.5 C4 A:BE7304 3.1 9.6 0.5 C6 A:BE7304 3.1 11.0 0.5 HA A:CYS206 3.1 9.1 0.3 HA A:PRO138 3.2 12.7 0.5 HA A:PRO138 3.3 12.6 0.5 CB A:CYS206 3.3 9.1 0.3 C A:GLN137 3.3 9.2 1.0 SG A:CYS206 3.4 10.7 0.2 CB A:CYS206 3.4 7.8 0.5 CB A:CYS206 3.4 9.6 0.2 C A:GLU205 3.4 7.6 1.0 CA A:CYS206 3.5 8.3 0.2 CA A:CYS206 3.5 6.7 0.5 CA A:CYS206 3.5 7.6 0.3 HB3 A:CYS206 3.5 9.3 0.5 N A:CYS206 3.7 8.0 0.2 HB2 A:CYS206 3.7 10.9 0.3 H A:GLN137 3.7 12.8 1.0 N A:CYS206 3.7 7.0 0.5 N A:CYS206 3.7 7.4 0.3 N A:GLN137 3.7 10.7 1.0 O A:HOH566 3.8 15.1 1.0 N A:PRO138 3.8 10.2 0.5 N A:PRO138 3.9 9.9 0.5 CA A:PRO138 4.0 10.6 0.5 CA A:PRO138 4.0 10.5 0.5 H A:GLU205 4.0 8.8 1.0 CA A:GLN137 4.1 9.9 1.0 C A:GLN136 4.1 12.6 1.0 HB3 A:LEU204 4.2 10.2 1.0 HB2 A:CYS206 4.2 9.3 0.5 O A:VAL135 4.2 13.6 1.0 N A:GLU205 4.3 7.4 1.0 H A:CYS206 4.3 9.6 0.2 HA A:GLN136 4.3 16.5 1.0 HA A:GLN137 4.4 11.9 1.0 HB2 A:CYS206 4.4 11.5 0.2 CA A:GLU205 4.4 7.9 1.0 C3 A:BE7304 4.4 10.4 0.5 C7 A:BE7304 4.4 11.4 0.5 H A:CYS206 4.4 8.4 0.5 H A:CYS206 4.4 8.8 0.3 HD3 A:PRO138 4.5 13.0 0.5 O A:HOH623 4.5 39.7 1.0 HB2 A:GLU205 4.5 9.7 1.0 O A:GLN136 4.5 14.5 1.0 C A:VAL135 4.6 12.2 1.0 HB3 A:PRO138 4.7 14.0 0.5 CA A:GLN136 4.7 13.8 1.0 HA A:VAL135 4.7 14.6 1.0 HD3 A:PRO138 4.7 13.6 0.5 CD A:PRO138 4.7 10.8 0.5 SG A:CYS206 4.7 10.1 0.3 O A:HOH618 4.8 26.6 1.0 HG A:CYS206 4.8 12.1 0.3 HG3 A:PRO138 4.8 13.9 0.5 C A:PRO138 4.9 9.1 0.5 N A:GLN136 4.9 12.6 1.0 CD A:PRO138 4.9 11.3 0.5 C2 A:BE7304 4.9 10.7 0.5 CB A:PRO138 4.9 11.7 0.5 CB A:GLU205 5.0 8.1 1.0 C A:CYS206 5.0 6.6 0.5 C A:CYS206 5.0 7.2 0.2 C A:CYS206 5.0 7.2 0.3 C A:PRO138 5.0 9.6 0.5 C A:LEU204 5.0 7.1 1.0

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Carboxybenzenesulfonamide To Be Published.