Zinc in PDB 3e7m: Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C95791

All present enzymatic activity of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C95791:
1.14.13.39;

The structure of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C95791, PDB code: 3e7m 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.Stuehr, 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)	19.96 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	213.848, 213.848, 116.645, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 23.7

The structure of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C95791 also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Zinc atom in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C95791 (pdb code 3e7m). 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 Murine Inos Oxygenase Domain with Inhibitor Ar-C95791, PDB code: 3e7m:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Murine Inos Oxygenase Domain 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 Murine Inos Oxygenase Domain with Inhibitor Ar-C95791 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn900 b:45.7 occ:0.30 SG A:CYS109 3.0 43.3 0.5 CB A:CYS109 3.7 41.1 0.5 CA A:CYS109 3.8 41.4 0.5 N A:LEU110 4.2 45.7 1.0 C A:CYS109 4.4 42.6 0.5 N A:GLY111 4.4 48.3 1.0 O A:THR103 4.5 45.6 0.5 OG1 A:THR103 4.7 43.8 0.5 CA A:GLY111 4.8 46.1 1.0

Zinc binding site 2 out of 2 in the Structure of Murine Inos Oxygenase Domain 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 Murine Inos Oxygenase Domain with Inhibitor Ar-C95791 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1900 b:34.0 occ:0.30 SG B:CYS104 2.5 41.0 0.4 SG B:CYS109 2.7 37.9 0.4 CB B:CYS104 3.3 40.5 0.4 CB B:CYS109 3.5 38.9 0.4 CA B:CYS109 3.9 39.7 0.4 N B:LEU110 4.3 45.0 1.0 N B:GLY111 4.4 47.7 1.0 C B:CYS109 4.5 41.5 0.4 CA B:CYS104 4.7 40.6 0.4 CA B:GLY111 4.7 46.8 1.0 OG1 B:THR103 4.9 42.7 0.4

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