Zinc in PDB 5wlr: Carbonic Anhydrase IX-Mimic in Complex with Aryloxy-2- Hydroxypropylammine Sulfonamide

All present enzymatic activity of Carbonic Anhydrase IX-Mimic in Complex with Aryloxy-2- Hydroxypropylammine Sulfonamide:
4.2.1.1;

The structure of Carbonic Anhydrase IX-Mimic in Complex with Aryloxy-2- Hydroxypropylammine Sulfonamide, PDB code: 5wlr was solved by C.L.Lomelino, J.T.Andring, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.20 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.381, 41.734, 72.503, 90.00, 103.90, 90.00
R / Rfree (%)	15.2 / 17.2

The binding sites of Zinc atom in the Carbonic Anhydrase IX-Mimic in Complex with Aryloxy-2- Hydroxypropylammine Sulfonamide (pdb code 5wlr). 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 IX-Mimic in Complex with Aryloxy-2- Hydroxypropylammine Sulfonamide, PDB code: 5wlr:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase IX-Mimic in Complex with Aryloxy-2- Hydroxypropylammine Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase IX-Mimic in Complex with Aryloxy-2- Hydroxypropylammine Sulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:9.9 occ:1.00 N10 A:86B302 2.0 9.8 1.0 NE2 A:HIS94 2.0 8.9 1.0 NE2 A:HIS96 2.0 10.1 1.0 ND1 A:HIS119 2.1 9.7 1.0 CE1 A:HIS119 2.9 9.4 1.0 CE1 A:HIS94 3.0 11.4 1.0 CD2 A:HIS94 3.0 9.0 1.0 CD2 A:HIS96 3.0 10.4 1.0 CE1 A:HIS96 3.0 11.1 1.0 S07 A:86B302 3.1 10.5 1.0 O09 A:86B302 3.1 9.9 1.0 CG A:HIS119 3.2 8.9 1.0 CB A:HIS119 3.6 7.6 1.0 O2 A:GOL304 3.7 12.9 1.0 OG1 A:THR199 3.9 9.9 1.0 OE1 A:GLU106 4.0 10.4 1.0 C2 A:GOL304 4.0 12.7 1.0 ND1 A:HIS94 4.1 11.7 1.0 O08 A:86B302 4.1 10.8 1.0 NE2 A:HIS119 4.1 10.5 1.0 CG A:HIS94 4.1 9.4 1.0 ND1 A:HIS96 4.1 10.8 1.0 CG A:HIS96 4.2 10.3 1.0 CD2 A:HIS119 4.2 9.3 1.0 C01 A:86B302 4.3 12.1 1.0 C06 A:86B302 4.9 14.4 1.0 CD A:GLU106 4.9 10.2 1.0

A.Nocentini, M.Ceruso, S.Bua, C.L.Lomelino, J.T.Andring, R.Mckenna, C.Lanzi, E.Masini, R.Pecori, R.Matucci, L.Filippi, P.Gratteri, F.Carta, S.Selleri, C.T.Supuran. Hybrids For Multitargeted Therapy Beta Adrenergic Receptor Modulators Cais To Be Published.