Zinc in PDB 4dz9: Hca II in Complex with Novel Sulfonamide Inhibitors Set D

All present enzymatic activity of Hca II in Complex with Novel Sulfonamide Inhibitors Set D:
4.2.1.1;

The structure of Hca II in Complex with Novel Sulfonamide Inhibitors Set D, PDB code: 4dz9 was solved by M.Aggarwal, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.86 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.250, 41.304, 72.006, 90.00, 104.09, 90.00
R / Rfree (%)	16.3 / 18.7

The structure of Hca II in Complex with Novel Sulfonamide Inhibitors Set D also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Zinc atom in the Hca II in Complex with Novel Sulfonamide Inhibitors Set D (pdb code 4dz9). 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 Hca II in Complex with Novel Sulfonamide Inhibitors Set D, PDB code: 4dz9:

Zinc binding site 1 out of 1 in the Hca II in Complex with Novel Sulfonamide Inhibitors Set D


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Hca II in Complex with Novel Sulfonamide Inhibitors Set D within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:11.4 occ:1.00 NAA A:ID4303 1.9 7.3 0.7 NE2 A:HIS94 2.0 9.3 1.0 ND1 A:HIS119 2.0 10.3 1.0 NE2 A:HIS96 2.1 10.1 1.0 O A:HOH583 2.5 12.9 0.3 CE1 A:HIS119 2.9 8.1 1.0 CD2 A:HIS94 3.0 10.4 1.0 CE1 A:HIS94 3.0 9.1 1.0 CD2 A:HIS96 3.0 10.7 1.0 HE1 A:HIS119 3.0 9.7 1.0 CE1 A:HIS96 3.1 10.8 1.0 SAZ A:ID4303 3.1 12.1 0.7 OAC A:ID4303 3.1 12.8 0.7 HD2 A:HIS94 3.1 12.4 1.0 CG A:HIS119 3.1 8.8 1.0 HD2 A:HIS96 3.2 12.8 1.0 HE1 A:HIS94 3.2 11.0 1.0 HB2 A:HIS119 3.2 10.0 1.0 HE1 A:HIS96 3.3 13.0 1.0 HG1 A:THR199 3.5 12.2 1.0 CB A:HIS119 3.6 8.3 1.0 O A:HOH551 3.6 20.3 1.0 HB3 A:HIS119 3.7 10.0 1.0 OG1 A:THR199 3.9 10.2 1.0 OE1 A:GLU106 4.0 9.8 1.0 NE2 A:HIS119 4.1 10.4 1.0 ND1 A:HIS94 4.1 9.8 1.0 CG A:HIS94 4.1 10.5 1.0 OAB A:ID4303 4.1 9.8 0.7 ND1 A:HIS96 4.2 10.9 1.0 CG A:HIS96 4.2 10.7 1.0 HH2 A:TRP209 4.2 11.7 1.0 CD2 A:HIS119 4.2 8.9 1.0 CAW A:ID4303 4.3 13.9 0.7 O A:HOH459 4.4 26.3 1.0 HG23 A:THR200 4.8 15.5 1.0 HE2 A:HIS119 4.8 12.5 1.0 HD1 A:HIS94 4.9 11.7 1.0 CD A:GLU106 4.9 11.3 1.0 HD1 A:HIS96 4.9 13.1 1.0 O A:HOH581 5.0 28.8 0.2 FAG A:ID4303 5.0 15.9 0.7 FAF A:ID4303 5.0 27.4 0.7

M.Aggarwal, R.Mckenna. Hca II in Complex with Novel Sulfonamide Inhibitors Set D To Be Published.