Mercury in PDB 5t72: Human Carboanhydrase F131C_C206S Double Mutant in Complex with 2

All present enzymatic activity of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 2:
4.2.1.1;

The structure of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 2, PDB code: 5t72 was solved by K.H.Dubay, K.Iwan, L.Osorio-Planes, P.Geissler, M.Groll, D.Trauner, J.Broichhagen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.350, 41.190, 72.230, 90.00, 104.09, 90.00
R / Rfree (%)	14.8 / 16.6

The structure of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 2 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Mercury atom in the Human Carboanhydrase F131C_C206S Double Mutant in Complex with 2 (pdb code 5t72). 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 Carboanhydrase F131C_C206S Double Mutant in Complex with 2, PDB code: 5t72:

Mercury binding site 1 out of 1 in the Human Carboanhydrase F131C_C206S Double Mutant in Complex with 2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg302 b:52.9 occ:1.00 HG A:HGB302 0.0 52.9 1.0 SG A:CYS130 2.2 11.0 1.0 C7 A:HGB302 2.3 28.6 1.0 CB A:CYS130 3.1 10.4 1.0 C5 A:HGB302 3.1 24.9 1.0 O A:CYS130 3.2 9.1 1.0 C6 A:HGB302 3.2 27.7 1.0 C A:CYS130 3.3 9.9 1.0 CA A:CYS130 3.7 10.4 1.0 N A:GLY131 3.9 10.5 1.0 C18 A:4WA303 4.0 19.7 0.5 C17 A:4WA303 4.0 21.7 0.5 CB A:VAL134 4.0 11.1 1.0 CG1 A:VAL134 4.3 11.5 1.0 CA A:GLY131 4.4 11.6 1.0 C3 A:HGB302 4.4 22.3 1.0 CG2 A:VAL134 4.5 11.6 1.0 C4 A:HGB302 4.5 26.4 1.0 CD2 A:LEU140 4.7 12.2 1.0 CD1 A:LEU140 5.0 11.3 1.0

K.H.Dubay, K.Iwan, L.Osorio-Planes, P.L.Geissler, M.Groll, D.Trauner, J.Broichhagen. A Predictive Approach For the Optical Control of Carbonic Anhydrase II Activity. Acs Chem. Biol. V. 13 793 2018.
ISSN: ESSN 1554-8937
PubMed: 29357237
DOI: 10.1021/ACSCHEMBIO.7B00862