Zinc in PDB 7bi5: Human Ca II in Complex with Benzyl Alcohol

All present enzymatic activity of Human Ca II in Complex with Benzyl Alcohol:
4.2.1.1;

The structure of Human Ca II in Complex with Benzyl Alcohol, PDB code: 7bi5 was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.10 / 1.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.324, 41.333, 71.86, 90, 104.3, 90
R / Rfree (%)	17 / 19.4

The binding sites of Zinc atom in the Human Ca II in Complex with Benzyl Alcohol (pdb code 7bi5). 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 Ca II in Complex with Benzyl Alcohol, PDB code: 7bi5:

Zinc binding site 1 out of 1 in the Human Ca II in Complex with Benzyl Alcohol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Ca II in Complex with Benzyl Alcohol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:6.8 occ:1.00 O A:HOH405 1.9 5.5 1.0 NE2 A:HIS96 2.0 3.9 1.0 NE2 A:HIS94 2.0 4.7 1.0 ND1 A:HIS119 2.1 5.8 1.0 CD2 A:HIS94 2.9 5.0 1.0 CE1 A:HIS96 3.0 3.8 1.0 CE1 A:HIS119 3.0 3.9 1.0 CD2 A:HIS96 3.1 3.7 1.0 CE1 A:HIS94 3.1 5.7 1.0 CG A:HIS119 3.2 3.6 1.0 CB A:HIS119 3.6 2.2 1.0 O A:HOH509 3.7 5.6 1.0 OG1 A:THR199 3.8 3.3 1.0 OE1 A:GLU106 3.9 5.3 1.0 O A:010302 3.9 6.7 1.0 CG A:HIS94 4.1 5.4 1.0 ND1 A:HIS96 4.1 3.7 1.0 ND1 A:HIS94 4.2 4.3 1.0 NE2 A:HIS119 4.2 2.1 1.0 CG A:HIS96 4.2 4.1 1.0 CD2 A:HIS119 4.2 2.6 1.0 C A:010302 4.5 7.8 1.0 O A:HOH546 4.5 11.5 1.0 CD A:GLU106 4.8 6.2 1.0 C6 A:010302 4.9 7.5 1.0 C5 A:010302 5.0 6.4 1.0

G.De Simone, S.Bua, C.T.Supuran, V.Alterio. Benzyl Alcohol Inhibits Carbonic Anhydrases By Anchoring to the Zinc Coordinated Water Molecule. Biochem.Biophys.Res.Commun. V. 548 217 2021.
ISSN: ESSN 1090-2104
PubMed: 33647799
DOI: 10.1016/J.BBRC.2021.02.067