Zinc in PDB 3e7g: Structure of Human Inosox with Inhibitor Ar-C95791

All present enzymatic activity of Structure of Human Inosox with Inhibitor Ar-C95791:
1.14.13.39;

The structure of Structure of Human Inosox with Inhibitor Ar-C95791, PDB code: 3e7g was solved by E.D.Garcin, A.S.Arvai, R.J.Rosenfeld, M.D.Kroeger, B.R.Crane, G.Andersson, G.Andrews, P.J.Hamley, P.R.Mallinder, D.J.Nicholls, S.A.St-Gallay, A.C.Tinker, N.P.Gensmantel, A.Mete, D.R.Cheshire, S.Connolly, D.J.Stueh, A.Aberg, A.V.Wallace, J.A.Tainer, E.D.Getzoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.51 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.206, 158.671, 191.141, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.3

The structure of Structure of Human Inosox with Inhibitor Ar-C95791 also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Zinc atom in the Structure of Human Inosox with Inhibitor Ar-C95791 (pdb code 3e7g). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Human Inosox with Inhibitor Ar-C95791, PDB code: 3e7g:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Human Inosox with Inhibitor Ar-C95791


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human Inosox with Inhibitor Ar-C95791 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn3001 b:72.6 occ:1.00 SG B:CYS110 2.6 81.1 1.0 SG A:CYS115 2.7 69.1 1.0 SG B:CYS115 2.7 69.2 1.0 SG A:CYS110 2.8 81.7 1.0 CB B:CYS110 3.4 82.2 1.0 CB A:CYS115 3.4 70.3 1.0 CB A:CYS110 3.4 83.9 1.0 CB B:CYS115 3.7 70.5 1.0 CA A:CYS115 3.9 71.1 1.0 CA B:CYS115 4.0 71.3 1.0 N B:GLY117 4.1 68.7 1.0 N A:GLY117 4.2 68.9 1.0 N A:LEU116 4.2 70.1 1.0 N B:LEU116 4.3 70.1 1.0 C A:CYS115 4.4 70.3 1.0 CA B:GLY117 4.5 67.6 1.0 C B:CYS115 4.5 70.6 1.0 CA A:GLY117 4.6 67.3 1.0 CA A:CYS110 4.8 84.5 1.0 CA B:CYS110 4.8 82.7 1.0

Zinc binding site 2 out of 2 in the Structure of Human Inosox with Inhibitor Ar-C95791


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Human Inosox with Inhibitor Ar-C95791 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn3002 b:73.3 occ:1.00 SG C:CYS115 2.6 64.6 1.0 SG D:CYS115 2.7 67.6 1.0 SG D:CYS110 2.7 81.3 1.0 SG C:CYS110 2.8 79.5 1.0 CB D:CYS115 3.3 68.8 1.0 CB D:CYS110 3.4 81.7 1.0 CB C:CYS115 3.4 67.0 1.0 CB C:CYS110 3.5 81.1 1.0 CA D:CYS115 3.8 69.3 1.0 CA C:CYS115 3.8 67.4 1.0 N C:GLY117 4.1 66.1 1.0 N D:GLY117 4.1 67.6 1.0 N D:LEU116 4.2 68.6 1.0 N C:LEU116 4.2 66.5 1.0 C D:CYS115 4.3 68.7 1.0 C C:CYS115 4.3 66.5 1.0 CA D:GLY117 4.5 65.7 1.0 CA C:GLY117 4.5 65.1 1.0 CA D:CYS110 4.8 82.7 1.0 CA C:CYS110 4.9 82.2 1.0

E.D.Garcin, A.S.Arvai, R.J.Rosenfeld, M.D.Kroeger, B.R.Crane, G.Andersson, G.Andrews, P.J.Hamley, P.R.Mallinder, D.J.Nicholls, S.A.St-Gallay, A.C.Tinker, N.P.Gensmantel, A.Mete, D.R.Cheshire, S.Connolly, D.J.Stuehr, A.Aberg, A.V.Wallace, J.A.Tainer, E.D.Getzoff. Anchored Plasticity Opens Doors For Selective Inhibitor Design in Nitric Oxide Synthase. Nat.Chem.Biol. V. 4 700 2008.
ISSN: ISSN 1552-4450
PubMed: 18849972
DOI: 10.1038/NCHEMBIO.115