Zinc in PDB 1sxs: Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate

All present enzymatic activity of Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate:
1.15.1.1;

The structure of Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate, PDB code: 1sxs was solved by M.Ferraroni, W.R.Rypniewski, B.Bruni, P.Orioli, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	104.600, 197.500, 50.800, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / n/a

The structure of Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate also contains other interesting chemical elements:

Copper	(Cu)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Zinc atom in the Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate (pdb code 1sxs). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate, PDB code: 1sxs:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn153 b:9.0 occ:0.99 OD1 A:ASP81 1.8 10.1 1.0 ND1 A:HIS78 1.9 1.9 1.0 ND1 A:HIS61 2.1 9.9 1.0 ND1 A:HIS69 2.2 7.1 1.0 CG A:ASP81 2.7 11.1 1.0 CE1 A:HIS78 2.8 7.4 1.0 OD2 A:ASP81 2.9 11.6 1.0 CG A:HIS61 3.0 8.1 1.0 CG A:HIS78 3.0 4.5 1.0 CE1 A:HIS61 3.0 8.0 1.0 CE1 A:HIS69 3.0 10.0 1.0 CG A:HIS69 3.2 5.8 1.0 CB A:HIS61 3.4 7.0 1.0 CB A:HIS78 3.5 4.6 1.0 CB A:HIS69 3.6 4.3 1.0 O A:LYS134 3.9 12.2 1.0 NE2 A:HIS78 3.9 3.4 1.0 CA A:HIS69 3.9 7.0 1.0 CD2 A:HIS78 4.1 3.2 1.0 CB A:ASP81 4.1 5.5 1.0 CD2 A:HIS61 4.2 10.9 1.0 NE2 A:HIS61 4.2 16.6 1.0 NE2 A:HIS69 4.2 7.6 1.0 CD2 A:HIS69 4.3 1.9 1.0 N A:HIS78 4.7 7.4 1.0 O A:HOH162 4.7 12.4 1.0 CA A:ASP81 4.7 6.4 1.0 C A:LYS134 4.8 10.5 1.0 CA A:HIS78 4.8 6.0 1.0 N A:HIS69 4.8 8.8 1.0 CA A:HIS61 4.9 8.2 1.0 N A:GLY70 4.9 6.1 1.0 N A:ASP81 4.9 8.9 1.0 C A:HIS69 5.0 8.4 1.0

Zinc binding site 2 out of 2 in the Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Reduced Bovine Superoxide Dismutase at pH 5.0 Complexed with Thiocyanate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn153 b:28.1 occ:0.99 OD1 B:ASP81 1.8 16.4 1.0 ND1 B:HIS78 2.0 19.8 1.0 ND1 B:HIS61 2.2 30.4 1.0 ND1 B:HIS69 2.4 31.7 1.0 CG B:ASP81 2.7 29.0 1.0 CE1 B:HIS78 3.0 26.0 1.0 OD2 B:ASP81 3.0 35.0 1.0 CG B:HIS78 3.1 20.5 1.0 CG B:HIS61 3.1 31.7 1.0 CE1 B:HIS61 3.2 36.9 1.0 CE1 B:HIS69 3.3 36.1 1.0 CG B:HIS69 3.4 27.1 1.0 CB B:HIS61 3.4 25.4 1.0 CB B:HIS78 3.5 20.9 1.0 CB B:HIS69 3.7 26.9 1.0 CA B:HIS69 3.9 26.4 1.0 O B:LYS134 3.9 33.3 1.0 NE2 B:HIS78 4.1 23.2 1.0 CB B:ASP81 4.1 26.2 1.0 CD2 B:HIS78 4.2 22.3 1.0 NE2 B:HIS61 4.3 39.0 1.0 CD2 B:HIS61 4.3 39.4 1.0 NE2 B:HIS69 4.4 42.4 1.0 CD2 B:HIS69 4.5 33.6 1.0 CA B:ASP81 4.6 29.5 1.0 O B:HOH166 4.7 32.9 1.0 N B:HIS78 4.7 28.8 1.0 N B:GLY70 4.8 28.2 1.0 CA B:HIS78 4.8 24.9 1.0 C B:HIS69 4.8 31.9 1.0 N B:ASP81 4.8 30.7 1.0 N B:HIS69 4.9 28.7 1.0 CA B:HIS61 5.0 18.7 1.0

M.Ferraroni, W.R.Rypniewski, B.Bruni, P.Orioli, S.Mangani. Crystallographic Determination of Reduced Bovine Superoxide Dismutase at pH 5.0 and of Anion Binding to Its Active Site J.Biol.Inorg.Chem. V. 3 411 1998.
ISSN: ISSN 0949-8257