Zinc in PDB 4riv: A Carbonic Anhydrase IX Mimic in Complex with Saccharin

All present enzymatic activity of A Carbonic Anhydrase IX Mimic in Complex with Saccharin:
4.2.1.1;

The structure of A Carbonic Anhydrase IX Mimic in Complex with Saccharin, PDB code: 4riv was solved by B.P.Mahon, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 1.63
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.996, 41.369, 72.070, 90.00, 103.85, 90.00
R / Rfree (%)	16.5 / 19

The binding sites of Zinc atom in the A Carbonic Anhydrase IX Mimic in Complex with Saccharin (pdb code 4riv). 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 A Carbonic Anhydrase IX Mimic in Complex with Saccharin, PDB code: 4riv:

Zinc binding site 1 out of 1 in the A Carbonic Anhydrase IX Mimic in Complex with Saccharin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A Carbonic Anhydrase IX Mimic in Complex with Saccharin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:16.5 occ:1.00 NE2 A:HIS94 2.0 8.4 1.0 ND1 A:HIS119 2.0 8.4 1.0 NE2 A:HIS96 2.0 8.5 1.0 N9 A:LSA302 2.1 11.7 0.8 CE1 A:HIS119 2.9 8.8 1.0 C7 A:LSA302 2.9 19.1 0.8 CD2 A:HIS96 3.0 10.8 1.0 CD2 A:HIS94 3.0 9.8 1.0 CE1 A:HIS94 3.0 10.7 1.0 CE1 A:HIS96 3.1 11.1 1.0 CG A:HIS119 3.1 9.6 1.0 S10 A:LSA302 3.2 13.4 0.8 O11 A:LSA302 3.2 12.3 0.8 O8 A:LSA302 3.3 21.5 0.8 CB A:HIS119 3.6 8.2 1.0 OG1 A:THR199 3.8 10.1 1.0 OE1 A:GLU106 4.0 10.5 1.0 NE2 A:HIS119 4.0 10.0 1.0 O12 A:LSA302 4.1 12.1 0.8 ND1 A:HIS94 4.1 10.1 1.0 CG A:HIS94 4.1 7.7 1.0 C1 A:LSA302 4.1 19.1 0.8 CG A:HIS96 4.1 9.3 1.0 ND1 A:HIS96 4.2 10.4 1.0 CD2 A:HIS119 4.2 10.7 1.0 C6 A:LSA302 4.3 17.0 0.8 O A:HOH487 4.5 27.8 1.0 CD A:GLU106 4.9 9.7 1.0

B.P.Mahon, A.M.Hendon, J.M.Driscoll, G.M.Rankin, S.A.Poulsen, C.T.Supuran, R.Mckenna. Saccharin: A Lead Compound For Structure-Based Drug Design of Carbonic Anhydrase IX Inhibitors. Bioorg.Med.Chem. 2014.
ISSN: ESSN 1464-3391
PubMed: 25614109
DOI: 10.1016/J.BMC.2014.12.030