Zinc in PDB 7p1a: Carbonic Anhydrase VII Sultam Based Inhibitors

All present enzymatic activity of Carbonic Anhydrase VII Sultam Based Inhibitors:
4.2.1.1;

The structure of Carbonic Anhydrase VII Sultam Based Inhibitors, PDB code: 7p1a was solved by K.D'ambrosio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.65 / 1.58
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.87, 89.4, 44.24, 90, 90, 90
R / Rfree (%)	18.9 / 20.6

The binding sites of Zinc atom in the Carbonic Anhydrase VII Sultam Based Inhibitors (pdb code 7p1a). 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 VII Sultam Based Inhibitors, PDB code: 7p1a:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase VII Sultam Based Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase VII Sultam Based Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:7.0 occ:1.00 N3 A:4IQ303 2.0 8.1 1.0 NE2 A:HIS94 2.0 4.0 1.0 NE2 A:HIS96 2.0 6.0 1.0 ND1 A:HIS119 2.0 5.4 1.0 CE1 A:HIS119 2.9 5.9 1.0 O4 A:4IQ303 3.0 7.7 1.0 CD2 A:HIS96 3.0 6.7 1.0 CD2 A:HIS94 3.0 5.4 1.0 CE1 A:HIS94 3.0 6.6 1.0 CE1 A:HIS96 3.0 7.5 1.0 S2 A:4IQ303 3.0 7.5 1.0 CG A:HIS119 3.1 5.3 1.0 CB A:HIS119 3.6 5.2 1.0 OE1 A:GLU106 3.9 14.1 1.0 OG1 A:THR199 3.9 8.2 1.0 O3 A:4IQ303 4.1 7.6 1.0 NE2 A:HIS119 4.1 6.7 1.0 ND1 A:HIS94 4.1 5.4 1.0 C12 A:4IQ303 4.2 7.2 1.0 CG A:HIS94 4.2 5.2 1.0 ND1 A:HIS96 4.2 7.7 1.0 CG A:HIS96 4.2 7.0 1.0 CD2 A:HIS119 4.2 6.5 1.0 CD A:GLU106 4.8 14.1 1.0 C13 A:4IQ303 4.8 9.3 1.0 C11 A:4IQ303 5.0 9.7 1.0

O.Akgul, E.Lucarini, L.D.C.Mannelli, C.Ghelardini, K.D'ambrosio, M.Buonanno, S.M.Monti, G.De Simone, A.Angeli, C.T.Supuran, F.Carta. Sultam Based Carbonic Anhydrase VII Inhibitors For the Management of Neuropathic Pain. Eur.J.Med.Chem. V. 227 13956 2021.
ISSN: ISSN 0223-5234
PubMed: 34731762
DOI: 10.1016/J.EJMECH.2021.113956