Zinc in PDB 7o4d: QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline

All present enzymatic activity of QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline:
1.10.5.1;

The structure of QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline, PDB code: 7o4d was solved by N.L.Gould, G.R.Scherer, S.Carvalh, K.Shurrush, E.Edry, A.Elkobi, O.David, O.Dym, S.Albeck, Y.Peleg, N.Germain, I.Babaev, H.Sharir, B.Lefker, C.Subramanyam, H.Barr, K.Rosenblum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.07 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.031, 83.362, 106.486, 90, 90, 90
R / Rfree (%)	17.4 / 22.6

The binding sites of Zinc atom in the QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline (pdb code 7o4d). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline, PDB code: 7o4d:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:27.8 occ:1.00 ND1 A:HIS178 2.1 26.6 1.0 ND1 A:HIS174 2.1 22.4 1.0 O A:CYS223 2.2 21.2 1.0 SG A:CYS223 2.3 23.8 1.0 CB A:CYS223 2.8 18.9 1.0 CG A:HIS178 3.0 22.1 1.0 C A:CYS223 3.1 23.4 1.0 CG A:HIS174 3.1 19.1 1.0 CE1 A:HIS174 3.1 20.0 1.0 CE1 A:HIS178 3.1 21.5 1.0 CB A:HIS178 3.3 16.5 1.0 CB A:HIS174 3.3 16.2 1.0 CA A:CYS223 3.5 23.4 1.0 CA A:HIS174 3.6 16.1 1.0 N A:THR224 4.2 25.8 1.0 CD2 A:HIS178 4.2 20.2 1.0 NE2 A:HIS178 4.2 16.8 1.0 CD2 A:HIS174 4.2 19.9 1.0 NE2 A:HIS174 4.2 24.1 1.0 C A:HIS174 4.6 15.5 1.0 O A:HIS174 4.6 17.9 1.0 N A:HIS174 4.6 15.1 1.0 N A:CYS223 4.7 26.6 1.0 CA A:THR224 4.7 28.6 1.0 O A:GLN173 4.7 15.7 1.0 CA A:HIS178 4.8 16.5 1.0

Zinc binding site 2 out of 2 in the QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of QR2 Inhibitor From A Novel Sulfanamide Series to Tackle Age Related Oxidative Stress and Cognitive Decline within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:27.8 occ:1.00 ND1 B:HIS174 2.0 17.7 1.0 ND1 B:HIS178 2.1 27.8 1.0 O B:CYS223 2.2 21.8 1.0 SG B:CYS223 2.4 23.8 1.0 CB B:CYS223 2.9 19.3 1.0 C B:CYS223 3.0 25.1 1.0 CG B:HIS174 3.0 15.4 1.0 CE1 B:HIS174 3.0 16.0 1.0 CG B:HIS178 3.1 23.7 1.0 CE1 B:HIS178 3.1 22.5 1.0 CB B:HIS174 3.3 13.0 1.0 CB B:HIS178 3.3 17.0 1.0 CA B:CYS223 3.5 23.2 1.0 CA B:HIS174 3.6 15.6 1.0 N B:THR224 4.1 25.8 1.0 NE2 B:HIS174 4.1 20.4 1.0 CD2 B:HIS174 4.1 17.1 1.0 CD2 B:HIS178 4.2 21.0 1.0 NE2 B:HIS178 4.2 18.1 1.0 N B:HIS174 4.6 13.5 1.0 C B:HIS174 4.6 12.7 1.0 CA B:THR224 4.6 21.4 1.0 N B:CYS223 4.6 23.0 1.0 O B:HIS174 4.6 12.7 1.0 O B:GLN173 4.7 21.1 1.0 CA B:HIS178 4.8 16.8 1.0 C B:GLN173 4.9 14.2 1.0

N.L.Gould, G.R.Scherer, S.Carvalh, K.Shurrush, E.Edry, A.Elkobi, O.David, O.Dym, S.Albeck, Y.Peleg, N.Germain, I.Babaev, H.Sharir, B.Lefker, C.Subramanyam, H.Barr, K.Rosenblum. A Novel Sulfanamide Series of QR2 Inhibitors to Tackle Age Related Oxidative Stress and Cognitive Decline To Be Published.