Zinc in PDB 3e7i: Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C94864

All present enzymatic activity of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C94864:
1.14.13.39;

The structure of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C94864, PDB code: 3e7i 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)	19.99 / 2.90
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	213.967, 213.967, 113.130, 90.00, 90.00, 120.00
R / Rfree (%)	23.9 / 29.5

The structure of Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C94864 also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Iron	(Fe)	2 atoms

The binding sites of Zinc atom in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C94864 (pdb code 3e7i). 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-C94864, PDB code: 3e7i:
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-C94864


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-C94864 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn904 b:74.9 occ:0.50 SG A:CYS109 2.6 0.2 1.0 SG A:CYS104 2.9 0.4 1.0 CB A:CYS109 3.7 0.5 1.0 CA A:CYS109 4.1 0.2 1.0 CB A:CYS104 4.4 0.7 1.0 N A:GLY111 4.5 0.6 1.0 N A:LEU110 4.5 0.1 1.0 C A:CYS109 4.8 0.2 1.0 CA A:GLY111 4.9 95.2 1.0

Zinc binding site 2 out of 2 in the Structure of Murine Inos Oxygenase Domain with Inhibitor Ar-C94864


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-C94864 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2903 b:61.9 occ:0.50 SG B:CYS104 2.4 0.7 1.0 SG B:CYS109 2.8 93.5 1.0 CB B:CYS104 3.4 0.8 1.0 CB B:CYS109 3.6 94.0 1.0 CA B:CYS109 4.2 95.3 1.0 N B:GLY111 4.3 88.9 1.0 N B:LEU110 4.5 93.7 1.0 CA B:GLY111 4.7 86.4 1.0 C B:CYS109 4.7 94.8 1.0 CA B:CYS104 4.8 0.1 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