Calcium in PDB 6adj: Rat Xanthine Oxidoreductase, D428E Variant

All present enzymatic activity of Rat Xanthine Oxidoreductase, D428E Variant:
1.17.1.4; 1.17.3.2;

The structure of Rat Xanthine Oxidoreductase, D428E Variant, PDB code: 6adj was solved by K.Okamoto, Y.Kawaguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.40 / 2.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.836, 138.665, 222.463, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 21

The structure of Rat Xanthine Oxidoreductase, D428E Variant also contains other interesting chemical elements:

Iron

(Fe)

8 atoms

The binding sites of Calcium atom in the Rat Xanthine Oxidoreductase, D428E Variant (pdb code 6adj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Rat Xanthine Oxidoreductase, D428E Variant, PDB code: 6adj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Rat Xanthine Oxidoreductase, D428E Variant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Rat Xanthine Oxidoreductase, D428E Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3003 b:22.6 occ:1.00 OG A:SER907 2.6 20.6 1.0 OG A:SER874 2.7 20.1 1.0 O A:ASN908 2.7 21.7 1.0 O A:GLY867 2.7 22.5 1.0 O A:THR870 2.7 20.0 1.0 O A:GLU871 3.0 22.0 1.0 C A:GLU871 3.5 23.8 1.0 N A:ASN908 3.5 21.7 1.0 C A:GLY867 3.7 21.9 1.0 CB A:ASP872 3.7 23.1 1.0 C A:ASN908 3.7 21.3 1.0 C A:THR870 3.8 22.7 1.0 CB A:SER907 3.9 19.6 1.0 CB A:SER874 3.9 19.1 1.0 CA A:GLY867 4.0 20.7 1.0 C A:SER907 4.1 19.8 1.0 NE2 A:HIS840 4.1 21.6 1.0 CA A:SER907 4.1 19.2 1.0 CA A:GLU871 4.2 23.6 1.0 CA A:ASN908 4.2 21.6 1.0 N A:ASP872 4.2 22.3 1.0 N A:GLU871 4.4 21.1 1.0 CA A:ASP872 4.5 21.8 1.0 CG2 A:THR870 4.6 21.4 1.0 N A:SER874 4.6 19.2 1.0 CE1 A:HIS840 4.6 22.7 1.0 CA A:SER874 4.8 19.8 1.0 CB A:ASN908 4.8 21.4 1.0 N A:THR870 4.8 24.1 1.0 N A:LEU873 4.8 18.5 1.0 N A:GLY868 4.8 20.8 1.0 CA A:THR870 4.8 23.0 1.0 CG A:ASP872 4.8 24.6 1.0 C A:ASP872 4.9 20.6 1.0 OD2 A:ASP872 4.9 21.4 1.0 N A:THR909 4.9 20.0 1.0

Calcium binding site 2 out of 2 in the Rat Xanthine Oxidoreductase, D428E Variant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Rat Xanthine Oxidoreductase, D428E Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca4003 b:19.6 occ:1.00 OG B:SER874 2.7 15.6 1.0 O B:ASN908 2.7 17.0 1.0 O B:GLY867 2.7 17.5 1.0 O B:THR870 2.7 13.8 1.0 OG B:SER907 2.8 16.5 1.0 O B:GLU871 3.1 17.0 1.0 C B:GLU871 3.5 16.7 1.0 N B:ASN908 3.6 15.3 1.0 C B:GLY867 3.7 16.9 1.0 CB B:ASP872 3.7 18.4 1.0 C B:ASN908 3.8 16.6 1.0 C B:THR870 3.8 16.4 1.0 CB B:SER874 3.9 15.5 1.0 CB B:SER907 3.9 15.4 1.0 CA B:GLY867 4.1 17.1 1.0 C B:SER907 4.1 15.8 1.0 CA B:SER907 4.1 15.9 1.0 N B:ASP872 4.2 16.1 1.0 NE2 B:HIS840 4.2 16.0 1.0 CA B:GLU871 4.2 17.8 1.0 CA B:ASN908 4.2 16.5 1.0 N B:GLU871 4.4 15.6 1.0 CA B:ASP872 4.4 17.2 1.0 CG2 B:THR870 4.5 16.2 1.0 N B:SER874 4.6 17.0 1.0 CE1 B:HIS840 4.7 16.6 1.0 CA B:SER874 4.7 16.0 1.0 N B:THR870 4.8 15.9 1.0 CA B:THR870 4.8 17.3 1.0 N B:GLY868 4.8 15.8 1.0 CG B:ASP872 4.8 20.3 1.0 OD2 B:ASP872 4.9 19.3 1.0 CB B:ASN908 4.9 16.4 1.0 C B:ASP872 4.9 17.3 1.0 N B:LEU873 4.9 16.7 1.0 N B:THR909 4.9 15.6 1.0 O B:SER907 5.0 15.3 1.0

K.Okamoto, Y.Kawaguchi. Rat Xanthine Oxidoreductase, D428A Variant, Nad Bound Form To Be Published.