Calcium in PDB 3b9j: Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine

All present enzymatic activity of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine:
1.17.3.2;

The structure of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine, PDB code: 3b9j was solved by J.M.Pauff, J.Zhang, C.E.Bell, R.Hille, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	144.34 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	133.187, 73.794, 146.498, 90.00, 98.87, 90.00
R / Rfree (%)	19.4 / 26.3

The structure of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine also contains other interesting chemical elements:

Molybdenum	(Mo)	2 atoms
Iron	(Fe)	8 atoms

The binding sites of Calcium atom in the Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine (pdb code 3b9j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine, PDB code: 3b9j:

Calcium binding site 1 out of 1 in the Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1 b:49.2 occ:1.00 NE2 C:GLN918 3.5 15.0 1.0 O C:THR909 3.5 18.1 1.0 CG2 C:ILE877 3.7 21.0 1.0 N C:HIS840 3.8 19.6 1.0 CD2 C:HIS840 3.8 17.8 1.0 CG C:ARG839 3.9 19.8 1.0 N C:GLY915 4.0 22.1 1.0 CA C:PHE914 4.0 21.1 1.0 N C:PHE911 4.1 16.0 1.0 CA C:ARG839 4.1 19.1 1.0 CB C:PHE911 4.3 13.9 1.0 O C:PHE911 4.3 16.0 1.0 CG1 C:ILE877 4.3 20.7 1.0 CD1 C:ILE877 4.3 20.8 1.0 NE C:ARG839 4.3 22.1 1.0 C C:PHE914 4.3 21.5 1.0 CB C:ARG839 4.4 18.8 1.0 N C:PHE914 4.4 20.4 1.0 CB C:HIS840 4.4 19.7 1.0 CD C:GLN918 4.5 17.1 1.0 CG C:HIS840 4.5 19.9 1.0 C C:ARG839 4.5 19.2 1.0 OE1 C:GLN918 4.5 9.9 1.0 C C:THR909 4.7 18.7 1.0 CB C:ILE877 4.7 21.4 1.0 CA C:PHE911 4.7 15.0 1.0 C C:ALA910 4.7 16.9 1.0 CA C:GLY915 4.8 21.9 1.0 CA C:HIS840 4.8 19.4 1.0 CA C:ALA910 4.8 17.5 1.0 CD C:ARG839 4.8 21.3 1.0 C C:PHE911 4.9 15.8 1.0 NE2 C:HIS840 5.0 17.8 1.0

J.M.Pauff, J.Zhang, C.E.Bell, R.Hille. Substrate Orientation in Xanthine Oxidase: Crystal Structure of Enzyme in Reaction with 2-Hydroxy-6-Methylpurine. J.Biol.Chem. V. 283 4818 2008.
ISSN: ISSN 0021-9258
PubMed: 18063585
DOI: 10.1074/JBC.M707918200