Zinc in PDB 4jji: Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+

All present enzymatic activity of Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+:
1.1.1.1; 1.1.1.284;

The structure of Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+, PDB code: 4jji was solved by A.Weichsel, J.Crotty, W.R.Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.10 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.619, 92.619, 173.171, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 22.3

The binding sites of Zinc atom in the Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+ (pdb code 4jji). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+, PDB code: 4jji:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:31.4 occ:1.00 SG A:CYS99 2.3 31.4 1.0 SG A:CYS113 2.4 29.4 1.0 SG A:CYS102 2.4 30.7 1.0 SG A:CYS105 2.4 30.6 1.0 CB A:CYS113 3.1 35.1 1.0 CB A:CYS99 3.4 32.0 1.0 CB A:CYS102 3.4 30.7 1.0 CB A:CYS105 3.4 30.0 1.0 N A:CYS99 3.6 27.5 1.0 CA A:CYS113 3.8 33.9 1.0 N A:CYS102 3.8 34.0 1.0 N A:ARG100 3.9 28.0 1.0 CA A:CYS99 3.9 28.7 1.0 N A:CYS105 4.2 34.2 1.0 CA A:CYS102 4.2 33.5 1.0 C A:CYS99 4.3 29.1 1.0 CB A:LYS115 4.4 34.9 1.0 N A:GLU101 4.4 30.4 1.0 CA A:CYS105 4.4 32.8 1.0 N A:GLY114 4.4 38.1 1.0 C A:CYS113 4.4 37.6 1.0 N A:LYS115 4.6 36.9 1.0 C A:GLU98 4.7 31.0 1.0 CA A:ARG100 4.8 29.7 1.0 C A:CYS102 4.9 35.9 1.0 C A:GLU101 5.0 36.4 1.0 N A:CYS113 5.0 38.1 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:34.5 occ:1.00 NE2 A:HIS69 2.1 31.2 1.0 OE2 A:GLU70 2.1 42.9 1.0 SG A:CYS47 2.3 35.7 1.0 SG A:CYS177 2.4 35.8 1.0 O A:HOH714 2.4 48.5 1.0 CE1 A:HIS69 2.9 29.8 1.0 CD A:GLU70 3.1 35.6 1.0 CD2 A:HIS69 3.2 29.3 1.0 CB A:CYS177 3.2 32.3 1.0 CB A:CYS47 3.2 35.7 1.0 CG A:GLU70 3.4 31.8 1.0 NH2 A:ARG372 3.7 30.1 1.0 ND1 A:HIS69 4.1 29.8 1.0 O A:HOH640 4.2 35.6 1.0 OE1 A:GLU70 4.2 31.0 1.0 CG A:HIS69 4.2 24.9 1.0 OG1 A:THR49 4.4 34.5 1.0 CA A:CYS47 4.5 33.2 1.0 CB A:THR49 4.6 32.9 1.0 CZ A:ARG372 4.6 30.6 1.0 CA A:CYS177 4.7 27.1 1.0 N A:GLY178 4.7 28.0 1.0 N A:CYS47 4.8 31.6 1.0 NE A:ARG372 4.9 32.6 1.0 CB A:GLU70 4.9 26.2 1.0 O A:HOH547 5.0 26.1 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:27.0 occ:0.70 SG B:CYS105 2.3 34.6 1.0 SG B:CYS102 2.3 37.6 1.0 SG B:CYS113 2.4 36.4 1.0 SG B:CYS99 2.4 35.8 1.0 CB B:CYS113 3.0 40.7 1.0 CB B:CYS105 3.3 33.7 1.0 CB B:CYS99 3.3 35.6 1.0 CB B:CYS102 3.5 38.5 1.0 CA B:CYS113 3.6 39.2 1.0 N B:CYS99 3.6 35.6 1.0 CA B:CYS99 3.9 35.0 1.0 N B:CYS102 3.9 38.8 1.0 N B:ARG100 3.9 35.4 1.0 N B:GLY114 4.1 47.6 1.0 CA B:CYS102 4.3 40.0 1.0 C B:CYS99 4.3 37.5 1.0 N B:CYS105 4.3 34.5 1.0 C B:CYS113 4.3 40.9 1.0 CA B:CYS105 4.4 37.4 1.0 N B:GLU101 4.4 37.5 1.0 CB B:LYS115 4.7 45.0 1.0 N B:LYS115 4.8 37.9 1.0 C B:GLU98 4.8 30.3 1.0 N B:CYS113 4.8 39.3 1.0 CA B:ARG100 4.9 33.2 1.0 C B:CYS102 5.0 42.0 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of S-Nitrosoglutathione Reductase From Arabidopsis Thalina, Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:27.3 occ:1.00 OE2 B:GLU70 2.0 30.8 1.0 NE2 B:HIS69 2.1 28.2 1.0 SG B:CYS47 2.3 26.4 1.0 SG B:CYS177 2.4 30.6 1.0 CE1 B:HIS69 3.0 27.1 1.0 CD B:GLU70 3.1 30.1 1.0 CD2 B:HIS69 3.2 28.0 1.0 CB B:CYS177 3.3 31.0 1.0 CB B:CYS47 3.3 31.8 1.0 CG B:GLU70 3.4 25.7 1.0 NH2 B:ARG372 4.0 32.0 1.0 ND1 B:HIS69 4.2 25.1 1.0 OE1 B:GLU70 4.2 29.4 1.0 O B:HOH602 4.2 36.9 1.0 CG B:HIS69 4.3 22.9 1.0 OG1 B:THR49 4.5 27.0 1.0 CA B:CYS47 4.6 29.2 1.0 CB B:THR49 4.7 26.7 1.0 CA B:CYS177 4.7 25.1 1.0 N B:CYS47 4.9 27.2 1.0 N B:GLY178 4.9 25.5 1.0 CZ B:ARG372 5.0 32.7 1.0 CB B:GLU70 5.0 26.6 1.0

J.Crotty, M.Greving, S.Brettschneider, A.Weichsel, G.F.Wildner, E.Vierling, W.R.Montfort. Crystal Structure and Kinetic Behavior of Alcohol Dehydrogenase III/S-Nitrosoglutathione Reductase From Arabidopsis Thalina To Be Published.