Mercury in PDB 5byi: Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D)

All present enzymatic activity of Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D):
4.2.1.1;

The structure of Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D), PDB code: 5byi was solved by M.Groll, J.Broichhagen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.050, 41.220, 71.930, 90.00, 104.23, 90.00
R / Rfree (%)	17.1 / 18.7

The structure of Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D) also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Mercury atom in the Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D) (pdb code 5byi). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D), PDB code: 5byi:

Mercury binding site 1 out of 1 in the Human Carbonic Anhydrase II with An Azobenzene Inhibitor (1D)


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 An Azobenzene Inhibitor (1D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg302 b:22.5 occ:1.00 HG A:HGB302 0.0 22.5 1.0 C7 A:HGB302 2.3 21.9 1.0 SG A:CYS205 2.4 12.9 1.0 O A:HOH631 2.8 50.2 1.0 O A:GLN136 3.0 7.0 1.0 CB A:CYS205 3.2 8.0 1.0 C5 A:HGB302 3.3 22.1 1.0 O A:GLU204 3.3 7.1 1.0 C6 A:HGB302 3.4 21.3 1.0 CA A:CYS205 3.5 5.5 1.0 C A:GLU204 3.5 5.6 1.0 C A:GLN136 3.5 7.2 1.0 O A:VAL134 3.5 10.5 1.0 N A:CYS205 3.6 5.2 1.0 N A:GLN136 3.7 7.5 1.0 O A:HOH594 3.8 19.6 1.0 C A:VAL134 4.0 9.0 1.0 N A:GLU204 4.1 5.9 1.0 C A:GLN135 4.1 8.8 1.0 CA A:GLN136 4.2 7.2 1.0 N A:PRO137 4.2 7.6 1.0 CA A:GLU204 4.4 5.9 1.0 CA A:PRO137 4.4 7.9 1.0 CB A:LEU203 4.5 7.2 1.0 CA A:GLN135 4.5 9.9 1.0 N A:GLN135 4.6 8.7 1.0 C3 A:HGB302 4.6 24.0 1.0 C A:LEU203 4.6 5.3 1.0 C4 A:HGB302 4.7 24.8 1.0 CA A:VAL134 4.7 8.0 1.0 O A:GLN135 4.8 10.3 1.0 O A:ALA133 4.9 6.9 1.0 O A:HOH720 4.9 27.9 1.0 C A:CYS205 5.0 5.4 1.0

L.S.Runtsch, D.M.Barber, P.Mayer, M.Groll, D.Trauner, J.Broichhagen. Azobenzene-Based Inhibitors of Human Carbonic Anhydrase II. Beilstein J Org Chem V. 11 1129 2015.
ISSN: ISSN 1860-5397
PubMed: 26199669
DOI: 10.3762/BJOC.11.127