Zinc in PDB 5t75: Human Carbonic Anhydrase II G132C_C206S Double Mutant in Complex with Sa-2

All present enzymatic activity of Human Carbonic Anhydrase II G132C_C206S Double Mutant in Complex with Sa-2:
4.2.1.1;

The structure of Human Carbonic Anhydrase II G132C_C206S Double Mutant in Complex with Sa-2, PDB code: 5t75 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 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.530, 41.480, 72.340, 90.00, 104.25, 90.00
R / Rfree (%)	14.5 / 17.5

The binding sites of Zinc atom in the Human Carbonic Anhydrase II G132C_C206S Double Mutant in Complex with Sa-2 (pdb code 5t75). 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 Carbonic Anhydrase II G132C_C206S Double Mutant in Complex with Sa-2, PDB code: 5t75:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II G132C_C206S Double Mutant in Complex with Sa-2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II G132C_C206S Double Mutant in Complex with Sa-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:8.7 occ:1.00 NE2 A:HIS94 2.0 7.2 1.0 ND1 A:HIS119 2.1 7.9 1.0 NE2 A:HIS96 2.1 7.6 1.0 N8 A:4WA302 2.1 9.7 1.0 CD2 A:HIS94 3.0 7.4 1.0 CE1 A:HIS119 3.0 7.3 1.0 CE1 A:HIS94 3.0 7.6 1.0 O10 A:4WA302 3.0 9.7 1.0 S18 A:4WA302 3.0 9.7 1.0 CD2 A:HIS96 3.0 7.5 1.0 CE1 A:HIS96 3.1 8.2 1.0 CG A:HIS119 3.1 7.7 1.0 CB A:HIS119 3.6 7.3 1.0 OG1 A:THR198 3.9 9.0 1.0 OE1 A:GLU106 4.0 10.2 1.0 ND1 A:HIS94 4.1 7.6 1.0 O9 A:4WA302 4.1 9.2 1.0 CG A:HIS94 4.1 7.4 1.0 NE2 A:HIS119 4.1 7.8 1.0 C4 A:4WA302 4.1 10.6 1.0 ND1 A:HIS96 4.2 8.3 1.0 CG A:HIS96 4.2 7.8 1.0 CD2 A:HIS119 4.2 7.6 1.0 C5 A:4WA302 4.9 11.7 1.0 CD A:GLU106 4.9 9.9 1.0 C3 A:4WA302 5.0 12.5 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