Zinc in PDB 6sdt: Human Carbonic Anhydrase VII in Complex with A Sulfonamide Inhibitor

All present enzymatic activity of Human Carbonic Anhydrase VII in Complex with A Sulfonamide Inhibitor:
4.2.1.1;

The structure of Human Carbonic Anhydrase VII in Complex with A Sulfonamide Inhibitor, PDB code: 6sdt was solved by V.Alterio, G.De Simone, D.Esposito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.99 / 1.94
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.280, 89.360, 44.165, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.6

The binding sites of Zinc atom in the Human Carbonic Anhydrase VII in Complex with A Sulfonamide Inhibitor (pdb code 6sdt). 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 VII in Complex with A Sulfonamide Inhibitor, PDB code: 6sdt:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase VII in Complex with A Sulfonamide Inhibitor


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 VII in Complex with A Sulfonamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:10.5 occ:1.00 NE2 A:HIS94 2.0 8.5 1.0 N1 A:L8N302 2.0 10.0 1.0 ND1 A:HIS119 2.0 9.5 1.0 NE2 A:HIS96 2.0 10.3 1.0 CE1 A:HIS94 2.9 9.2 1.0 CE1 A:HIS119 2.9 9.2 1.0 O1 A:L8N302 2.9 12.0 1.0 CD2 A:HIS96 3.0 10.1 1.0 S1 A:L8N302 3.1 12.3 1.0 CD2 A:HIS94 3.1 9.1 1.0 CE1 A:HIS96 3.1 11.4 1.0 CG A:HIS119 3.1 9.0 1.0 CB A:HIS119 3.6 8.3 1.0 O A:HOH455 3.7 10.0 1.0 OG1 A:THR199 3.8 8.9 1.0 OE1 A:GLU106 3.9 11.8 1.0 O2 A:L8N302 4.0 10.8 1.0 NE2 A:HIS119 4.1 8.7 1.0 ND1 A:HIS94 4.1 8.9 1.0 CG A:HIS96 4.2 10.3 1.0 CG A:HIS94 4.2 9.0 1.0 CD2 A:HIS119 4.2 8.6 1.0 ND1 A:HIS96 4.2 9.9 1.0 C1 A:L8N302 4.3 11.9 1.0 CD A:GLU106 4.8 11.7 1.0 CA A:HIS119 5.0 8.8 1.0

A.Nocentini, V.Alterio, S.Bua, L.Micheli, D.Esposito, M.Buonanno, G.Bartolucci, S.M.Osman, Z.A.Alothman, R.Cirilli, M.Pierini, S.M.Monti, L.Di Cesare Mannelli, P.Gratteri, C.Ghelardini, G.De Simone, C.T.Supuran. Phenyl(Thio)Phosphon(Amid)Ate Benzenesulfonamides As Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in A Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem. V. 63 5185 2020.
ISSN: ISSN 0022-2623
PubMed: 32364386
DOI: 10.1021/ACS.JMEDCHEM.9B02135