Zinc in PDB 4m2u: Carbonic Anhydrase II in Complex with Dorzolamide

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

The structure of Carbonic Anhydrase II in Complex with Dorzolamide, PDB code: 4m2u 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)	19.09 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.873, 42.154, 72.746, 90.00, 104.60, 90.00
R / Rfree (%)	12.8 / 16.2

The binding sites of Zinc atom in the Carbonic Anhydrase II in Complex with Dorzolamide (pdb code 4m2u). 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 Carbonic Anhydrase II in Complex with Dorzolamide, PDB code: 4m2u:

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II in Complex with Dorzolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:5.3 occ:1.00 N13 A:ETS302 2.0 4.9 1.0 NE2 A:HIS94 2.0 1.6 1.0 NE2 A:HIS96 2.1 2.3 1.0 ND1 A:HIS119 2.1 1.6 1.0 CE1 A:HIS119 2.9 1.7 1.0 CD2 A:HIS96 3.0 2.0 1.0 S10 A:ETS302 3.0 5.5 1.0 CE1 A:HIS94 3.0 1.7 1.0 O12 A:ETS302 3.0 4.0 1.0 HE1 A:HIS119 3.0 2.0 1.0 CD2 A:HIS94 3.0 1.7 1.0 HD2 A:HIS96 3.1 2.4 1.0 CE1 A:HIS96 3.1 8.1 1.0 CG A:HIS119 3.2 3.4 1.0 HE1 A:HIS94 3.2 2.0 1.0 HB2 A:HIS119 3.2 1.8 1.0 HD2 A:HIS94 3.2 2.1 1.0 HE1 A:HIS96 3.4 9.7 1.0 CB A:HIS119 3.6 1.5 1.0 HG1 A:THR199 3.6 2.8 1.0 HB3 A:HIS119 3.8 1.8 1.0 OG1 A:THR199 3.9 2.3 1.0 OE1 A:GLU106 4.0 2.4 1.0 O11 A:ETS302 4.1 4.8 1.0 NE2 A:HIS119 4.1 1.7 1.0 C2 A:ETS302 4.1 6.1 1.0 ND1 A:HIS94 4.1 1.8 1.0 CG A:HIS96 4.1 2.3 1.0 CG A:HIS94 4.2 2.9 1.0 ND1 A:HIS96 4.2 2.2 1.0 CD2 A:HIS119 4.2 2.9 1.0 HH2 A:TRP209 4.3 6.9 1.0 O A:HOH449 4.4 21.1 1.0 HG23 A:THR200 4.8 10.3 1.0 C3 A:ETS302 4.8 2.3 1.0 HE2 A:HIS119 4.8 2.0 1.0 HD1 A:HIS94 4.9 2.1 1.0 CD A:GLU106 5.0 4.8 1.0 HD1 A:HIS96 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