Zinc in PDB 4m2w: Genetically Engineered Carbonic Anhydrase IX in Complex with Dorzolamide

All present enzymatic activity of Genetically Engineered Carbonic Anhydrase IX in Complex with Dorzolamide:
4.2.1.1;

The structure of Genetically Engineered Carbonic Anhydrase IX in Complex with Dorzolamide, PDB code: 4m2w 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)	18.96 / 1.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.609, 41.796, 72.900, 90.00, 104.01, 90.00
R / Rfree (%)	13 / 15.2

The binding sites of Zinc atom in the Genetically Engineered Carbonic Anhydrase IX in Complex with Dorzolamide (pdb code 4m2w). 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 Genetically Engineered Carbonic Anhydrase IX in Complex with Dorzolamide, PDB code: 4m2w:

Zinc binding site 1 out of 1 in the Genetically Engineered Carbonic Anhydrase IX 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 Genetically Engineered Carbonic Anhydrase IX in Complex with Dorzolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:11.1 occ:1.00 N13 A:ETS302 2.0 10.2 1.0 ND1 A:HIS119 2.0 7.3 1.0 NE2 A:HIS94 2.0 9.7 1.0 NE2 A:HIS96 2.0 8.6 1.0 CE1 A:HIS119 2.9 7.7 1.0 HE1 A:HIS119 3.0 9.2 1.0 CD2 A:HIS94 3.0 10.8 1.0 CD2 A:HIS96 3.0 9.7 1.0 CE1 A:HIS94 3.0 11.2 1.0 S10 A:ETS302 3.0 11.1 1.0 CE1 A:HIS96 3.1 12.8 1.0 O12 A:ETS302 3.1 12.0 1.0 HD2 A:HIS96 3.1 11.6 1.0 HD2 A:HIS94 3.1 12.9 1.0 CG A:HIS119 3.1 6.6 1.0 HB2 A:HIS119 3.2 10.5 1.0 HE1 A:HIS94 3.2 13.5 1.0 HE1 A:HIS96 3.3 15.3 1.0 HG1 A:THR199 3.6 14.4 1.0 CB A:HIS119 3.6 8.8 1.0 HB3 A:HIS119 3.8 10.5 1.0 OG1 A:THR199 3.9 12.0 1.0 OE1 A:GLU106 4.0 10.3 1.0 NE2 A:HIS119 4.0 8.4 1.0 ND1 A:HIS94 4.1 9.9 1.0 O11 A:ETS302 4.1 11.0 1.0 CG A:HIS94 4.1 8.4 1.0 CG A:HIS96 4.1 8.4 1.0 ND1 A:HIS96 4.1 10.8 1.0 C2 A:ETS302 4.2 12.3 1.0 CD2 A:HIS119 4.2 9.8 1.0 HH2 A:TRP209 4.3 14.2 1.0 HG23 A:THR200 4.8 18.3 1.0 HE2 A:HIS119 4.8 10.1 1.0 C3 A:ETS302 4.9 14.7 1.0 HD1 A:HIS94 4.9 11.9 1.0 HD1 A:HIS96 4.9 12.9 1.0 CD A:GLU106 4.9 9.8 1.0 HG11 A:VAL143 5.0 13.7 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