Mercury in PDB 3k34: Human Carbonic Anhydrase II with A Sulfonamide Inhibitor

All present enzymatic activity of Human Carbonic Anhydrase II with A Sulfonamide Inhibitor:
4.2.1.1;

The structure of Human Carbonic Anhydrase II with A Sulfonamide Inhibitor, PDB code: 3k34 was solved by C.A.Behnke, I.Le Trong, E.A.Merritt, D.C.Teller, R.E.Stenkamp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.00 / 0.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.045, 41.269, 71.821, 90.00, 104.23, 90.00
R / Rfree (%)	n/a / 16

The structure of Human Carbonic Anhydrase II with A Sulfonamide Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Mercury atom in the Human Carbonic Anhydrase II with A Sulfonamide Inhibitor (pdb code 3k34). 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 with A Sulfonamide Inhibitor, PDB code: 3k34:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II with A Sulfonamide Inhibitor


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 with A Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg265 b:8.9 occ:0.60 HG A:HGB265 0.0 8.9 0.6 HG A:HGB265 1.3 9.6 0.4 C7 A:HGB265 1.5 7.2 0.4 C7 A:HGB265 2.0 11.8 0.6 SG A:CYS206 2.3 8.2 0.6 O A:HOH2284 2.9 26.2 1.0 O A:GLN137 2.9 8.5 1.0 O A:GLU205 3.0 9.1 1.0 C6 A:HGB265 3.0 13.2 0.6 C5 A:HGB265 3.1 12.8 0.6 SG A:CYS206 3.3 9.0 0.4 CB A:CYS206 3.3 7.7 0.6 C A:GLN137 3.3 8.2 1.0 C A:GLU205 3.4 7.6 1.0 CA A:CYS206 3.5 6.9 1.0 N A:CYS206 3.7 7.0 1.0 CB A:CYS206 3.7 9.7 0.4 N A:GLN137 3.7 9.3 1.0 O A:HOH2153 3.8 17.3 1.0 N A:PRO138 3.9 8.6 1.0 CA A:PRO138 4.0 9.5 1.0 CA A:GLN137 4.1 9.1 1.0 O A:VAL135 4.1 12.7 1.0 N A:GLU205 4.2 7.9 1.0 C A:GLN136 4.2 10.5 1.0 CA A:GLU205 4.3 7.6 1.0 C4 A:HGB265 4.4 13.6 0.6 C3 A:HGB265 4.4 14.1 0.6 C A:VAL135 4.6 10.4 1.0 O A:GLN136 4.6 12.8 1.0 CA A:GLN136 4.7 13.0 1.0 O A:HOH2291 4.8 33.4 1.0 CD A:PRO138 4.9 12.1 1.0 C A:LEU204 4.9 7.1 1.0 C A:PRO138 4.9 8.5 1.0 CB A:GLU205 4.9 8.6 1.0 C2 A:HGB265 4.9 15.5 0.6 C A:CYS206 5.0 7.1 1.0 N A:GLN136 5.0 10.8 1.0 CB A:LEU204 5.0 9.1 1.0

Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II with A Sulfonamide Inhibitor


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 with A Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg265 b:9.6 occ:0.40 HG A:HGB265 0.0 9.6 0.4 HG A:HGB265 1.3 8.9 0.6 SG A:CYS206 1.3 8.2 0.6 C7 A:HGB265 1.9 7.2 0.4 SG A:CYS206 2.3 9.0 0.4 O A:HOH2284 2.6 26.2 1.0 CB A:CYS206 2.7 7.7 0.6 O A:VAL135 3.0 12.7 1.0 O A:GLN137 3.2 8.5 1.0 CB A:CYS206 3.2 9.7 0.4 C7 A:HGB265 3.2 11.8 0.6 CA A:CYS206 3.5 6.9 1.0 C A:VAL135 3.6 10.4 1.0 N A:GLN137 3.6 9.3 1.0 N A:CYS206 3.7 7.0 1.0 O A:GLU205 3.7 9.1 1.0 C A:GLU205 3.7 7.6 1.0 C A:GLN137 3.8 8.2 1.0 O A:HOH2153 3.9 17.3 1.0 C A:GLN136 4.1 10.5 1.0 C5 A:HGB265 4.1 12.8 0.6 CB A:LEU204 4.1 9.1 1.0 N A:GLU205 4.1 7.9 1.0 CA A:VAL135 4.1 10.1 1.0 N A:GLN136 4.2 10.8 1.0 CA A:GLN136 4.3 13.0 1.0 C6 A:HGB265 4.3 13.2 0.6 CA A:GLN137 4.3 9.1 1.0 C A:LEU204 4.5 7.1 1.0 CA A:GLU205 4.6 7.6 1.0 O A:ALA134 4.6 8.9 1.0 N A:PRO138 4.7 8.6 1.0 O A:GLN136 4.8 12.8 1.0 CB A:VAL135 4.9 12.1 1.0 CA A:LEU204 4.9 8.0 1.0 CA A:PRO138 4.9 9.5 1.0 C A:CYS206 4.9 7.1 1.0

C.A.Behnke, I.Le Trong, J.W.Godden, E.A.Merritt, D.C.Teller, J.Bajorath, R.E.Stenkamp. Atomic Resolution Studies of Carbonic Anhydrase II. Acta Crystallogr.,Sect.D V. 66 616 2010.
ISSN: ISSN 0907-4449
PubMed: 20445237
DOI: 10.1107/S0907444910006554