Magnesium in PDB 3qgp: Crystal Structure of Isdi in Complex with Heme and Cyanide

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

The structure of Crystal Structure of Isdi in Complex with Heme and Cyanide, PDB code: 3qgp 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)	43.87 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.820, 65.860, 69.330, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.6

The structure of Crystal Structure of Isdi 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 in Complex with Heme and Cyanide (pdb code 3qgp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Isdi in Complex with Heme and Cyanide, PDB code: 3qgp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Isdi 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 in Complex with Heme and Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg300 b:14.0 occ:1.00 O B:HOH216 2.0 10.5 1.0 O B:HOH211 2.0 10.8 1.0 O B:HOH212 2.1 14.4 1.0 O B:HOH214 2.1 15.8 1.0 O B:HOH215 2.1 15.9 1.0 O B:HOH213 2.2 16.3 1.0 O B:HOH191 3.9 9.8 1.0 O B:HOH190 4.1 11.9 1.0 O B:THR45 4.1 13.3 1.0 O B:HOH198 4.2 31.1 1.0 OD1 B:ASP49 4.3 12.1 1.0 O B:HOH185 4.3 13.3 1.0 O B:HOH199 4.3 33.7 1.0 O B:HOH192 4.4 20.2 1.0 NZ B:LYS41 4.5 11.2 1.0 OG1 B:THR45 4.6 10.2 1.0 O B:HOH184 4.7 18.5 1.0 O B:HOH217 4.8 3.1 1.0 CE B:LYS41 4.9 10.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Isdi 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 2 of Crystal Structure of Isdi in Complex with Heme and Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:35.9 occ:1.00 O B:HOH252 2.1 35.7 1.0 O B:HOH251 2.1 35.2 1.0 O B:HOH170 2.2 31.6 1.0 O B:HOH249 2.3 42.8 1.0 OD1 B:ASP47 4.3 17.7 1.0 O B:HOH250 4.3 32.3 1.0 O B:GLU46 4.5 16.8 1.0 CA B:ASP47 4.9 14.2 1.0 CB B:ASP47 4.9 14.4 1.0 CG B:ASP47 4.9 17.0 1.0

S.J.Takayama, G.N.Ukpabi, M.E.P.Murphy, A.G.Mauk. Heme Ruffling Enables the Catalytic Activity of the Heme Degrading Enzyme Isdi To Be Published.