Magnesium in PDB 4fni: Crystal Structure of Isdi-W66Y in Complex with Heme and Cyanide

All present enzymatic activity of Crystal Structure of Isdi-W66Y in Complex with Heme and Cyanide:
1.14.99.3;

The structure of Crystal Structure of Isdi-W66Y in Complex with Heme and Cyanide, PDB code: 4fni was solved by G.N.Ukpabi, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.27 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.311, 67.014, 69.567, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.8

The structure of Crystal Structure of Isdi-W66Y in Complex with Heme and Cyanide also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Isdi-W66Y in Complex with Heme and Cyanide (pdb code 4fni). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Isdi-W66Y in Complex with Heme and Cyanide, PDB code: 4fni:

Magnesium binding site 1 out of 1 in the Crystal Structure of Isdi-W66Y in Complex with Heme and Cyanide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Isdi-W66Y in Complex with Heme and Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:27.9 occ:1.00 O B:HOH460 1.9 24.2 1.0 O B:HOH458 2.0 28.6 1.0 O B:HOH457 2.1 12.1 1.0 O B:HOH461 2.4 18.8 1.0 O B:HOH462 2.4 29.1 1.0 O B:HOH456 2.6 21.9 1.0 O B:HOH459 3.8 27.5 1.0 O B:HOH464 4.0 34.4 1.0 CA B:GLY13 4.1 13.2 1.0 OD1 B:ASP49 4.1 12.2 1.0 OD2 B:ASP49 4.2 11.9 1.0 NZ B:LYS41 4.4 24.5 1.0 N B:GLY13 4.4 13.2 1.0 CE B:LYS41 4.4 20.6 1.0 O B:HOH340 4.5 14.3 1.0 OE1 B:GLU16 4.5 13.2 1.0 CG B:ASP49 4.6 11.3 1.0 OE2 B:GLU16 4.6 15.9 1.0 C B:GLY13 4.9 12.6 1.0

G.Ukpabi, S.J.Takayama, A.G.Mauk, M.E.Murphy. Inactivation of the Heme Degrading Enzyme Isdi By An Active Site Substitution That Diminishes Heme Ruffling. J.Biol.Chem. V. 287 34179 2012.
ISSN: ISSN 0021-9258
PubMed: 22891243
DOI: 10.1074/JBC.M112.393249