Zinc 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:

Mercury

(Hg)

1 atom

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Human Carboanhydrase F131C_C206S Double Mutant in Complex with 2, PDB code: 5t72:

Zinc 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 Zinc with other atoms in the Zn 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:Zn301 b:5.5 occ:1.00 NE2 A:HIS96 2.1 6.0 1.0 ND1 A:HIS119 2.1 4.8 1.0 NE2 A:HIS94 2.1 5.9 1.0 N8 A:4WA303 2.1 4.8 0.5 N8 A:4WA303 2.1 7.3 0.5 CE1 A:HIS119 2.9 4.8 1.0 O10 A:4WA303 2.9 5.0 0.5 CD2 A:HIS94 3.0 6.1 1.0 CD2 A:HIS96 3.0 5.9 1.0 S18 A:4WA303 3.0 5.1 0.5 O10 A:4WA303 3.1 7.8 0.5 CE1 A:HIS96 3.1 6.5 1.0 CE1 A:HIS94 3.1 6.0 1.0 S18 A:4WA303 3.1 8.2 0.5 CG A:HIS119 3.1 4.7 1.0 CB A:HIS119 3.6 4.8 1.0 OG1 A:THR198 3.9 6.1 1.0 OE1 A:GLU106 4.0 6.8 1.0 O9 A:4WA303 4.0 5.2 0.5 NE2 A:HIS119 4.1 4.9 1.0 C4 A:4WA303 4.1 6.6 0.5 CG A:HIS94 4.1 5.9 1.0 ND1 A:HIS96 4.2 6.5 1.0 CG A:HIS96 4.2 5.8 1.0 O9 A:4WA303 4.2 7.9 0.5 C4 A:4WA303 4.2 9.8 0.5 ND1 A:HIS94 4.2 5.8 1.0 CD2 A:HIS119 4.2 4.8 1.0 C3 A:TRS304 4.5 16.3 1.0 N A:TRS304 4.6 17.3 1.0 C5 A:4WA303 4.9 10.9 0.5 CD A:GLU106 4.9 6.8 1.0 C5 A:4WA303 4.9 7.7 0.5 C3 A:4WA303 4.9 7.5 0.5

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