Zinc in PDB 4m2r: Human Carbonic Anhydrase II in Complex with Brinzolamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Brinzolamide:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with Brinzolamide, PDB code: 4m2r was solved by M.P.Pinard, C.D.Boone, B.D.Rife, C.T.Supuran, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.08 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.837, 42.163, 72.643, 90.00, 104.76, 90.00
R / Rfree (%)	17.2 / 21.6

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with Brinzolamide (pdb code 4m2r). 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 in Complex with Brinzolamide, PDB code: 4m2r:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with Brinzolamide


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 in Complex with Brinzolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:20.5 occ:1.00 ND1 A:HIS119 2.0 2.5 1.0 N2 A:BZ1302 2.0 32.3 1.0 NE2 A:HIS94 2.0 2.6 1.0 NE2 A:HIS96 2.1 4.1 1.0 CE1 A:HIS119 2.9 2.6 1.0 CD2 A:HIS94 2.9 2.7 1.0 S1 A:BZ1302 3.0 19.7 1.0 O3 A:BZ1302 3.0 19.7 1.0 CD2 A:HIS96 3.0 2.7 1.0 HE1 A:HIS119 3.0 3.1 1.0 CE1 A:HIS94 3.1 4.1 1.0 HD2 A:HIS94 3.1 3.2 1.0 CG A:HIS119 3.1 2.5 1.0 CE1 A:HIS96 3.1 9.9 1.0 HB2 A:HIS119 3.1 3.0 1.0 HD2 A:HIS96 3.1 3.3 1.0 HE1 A:HIS94 3.3 4.9 1.0 HE1 A:HIS96 3.3 11.8 1.0 CB A:HIS119 3.5 2.5 1.0 HG1 A:THR199 3.6 4.9 1.0 HB3 A:HIS119 3.7 3.0 1.0 OG1 A:THR199 3.9 4.1 1.0 OE1 A:GLU106 3.9 4.2 1.0 C7 A:BZ1302 4.0 21.7 1.0 NE2 A:HIS119 4.1 4.9 1.0 CG A:HIS94 4.1 4.4 1.0 ND1 A:HIS94 4.1 2.7 1.0 O4 A:BZ1302 4.1 20.3 1.0 CD2 A:HIS119 4.2 2.6 1.0 CG A:HIS96 4.2 9.8 1.0 ND1 A:HIS96 4.2 9.0 1.0 HH2 A:TRP209 4.2 5.5 1.0 C8 A:BZ1302 4.6 12.2 1.0 HE2 A:HIS119 4.8 5.9 1.0 HG23 A:THR200 4.9 6.6 1.0 CD A:GLU106 4.9 3.9 1.0 HD1 A:HIS94 4.9 3.2 1.0 HD1 A:HIS96 5.0 10.8 1.0 CA A:HIS119 5.0 2.6 1.0

M.A.Pinard, C.D.Boone, B.D.Rife, C.T.Supuran, R.Mckenna. Structural Study of Interaction Between Brinzolamide and Dorzolamide Inhibition of Human Carbonic Anhydrases. Bioorg.Med.Chem. V. 21 7210 2013.
ISSN: ISSN 0968-0896
PubMed: 24090602
DOI: 10.1016/J.BMC.2013.08.033