Magnesium in PDB 1n0i: Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site

All present enzymatic activity of Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site:
4.99.1.1;

The structure of Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site, PDB code: 1n0i was solved by D.Lecerof, M.N.Fodje, R.A.Leon, U.Olsson, A.Hansson, E.Sigfridsson, U.Ryde, M.Hansson, S.Al-Karadaghi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.11 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.415, 49.878, 118.777, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 27.3

The structure of Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site also contains other interesting chemical elements:

Cadmium	(Cd)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site (pdb code 1n0i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site, PDB code: 1n0i:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site


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 Ferrochelatase with Cadmium Bound at Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg900 b:17.2 occ:0.49 O A:HOH1267 2.1 16.9 0.7 O A:HOH1266 2.1 16.3 0.9 O A:HOH1271 2.1 16.5 0.6 O A:HOH1270 2.1 17.1 0.5 O A:HOH1268 2.1 16.9 0.3 O A:HOH1269 2.1 16.5 0.7 O A:HOH1108 3.8 30.2 1.0 OD1 A:ASP268 4.0 18.2 1.0 OE1 A:GLU272 4.1 12.8 1.0 OE2 A:GLU272 4.2 14.1 1.0 OD2 A:ASP268 4.3 12.9 1.0 CG A:ASP268 4.4 16.6 1.0 CA A:SER222 4.4 15.2 1.0 O A:HOH1122 4.5 25.2 1.0 NH1 A:ARG46 4.5 18.5 1.0 CD A:GLU272 4.6 13.4 1.0 O A:HOH934 4.7 12.2 1.0 O A:GLU223 4.8 25.6 1.0 O A:HOH1052 4.8 44.4 1.0 C A:SER222 4.9 17.8 1.0 O A:HOH1053 4.9 26.9 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site


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 Ferrochelatase with Cadmium Bound at Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:15.1 occ:0.79 O A:HOH1274 2.1 15.9 0.9 O A:HOH1273 2.1 15.8 0.6 O A:HOH1277 2.1 15.4 0.9 O A:HOH1275 2.1 15.3 0.7 O A:HOH1272 2.1 15.1 0.8 O A:HOH1276 2.1 15.5 0.9 OG A:SER146 3.7 11.8 1.0 OD2 A:ASP149 4.0 10.8 1.0 OD1 A:ASP149 4.4 13.6 1.0 O A:HOH967 4.5 13.0 1.0 O A:HOH1095 4.5 35.0 1.0 O A:SER146 4.6 15.7 1.0 O A:HOH1182 4.6 26.3 1.0 CG A:ASP149 4.6 14.2 1.0 CL A:CL913 4.7 13.3 0.9 CL A:CL912 5.0 15.5 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Ferrochelatase with Cadmium Bound at Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:17.5 occ:0.63 O A:HOH1278 2.1 14.7 0.6 OE2 A:GLU20 2.1 16.9 1.0 O A:HOH1281 2.1 14.9 0.6 O A:HOH1279 2.1 14.7 0.6 O A:HOH1280 2.1 13.9 0.6 O A:HOH1282 2.1 15.1 0.6 CD A:GLU20 3.1 13.9 1.0 OE1 A:GLU20 3.3 13.1 1.0 CG A:GLU20 4.4 12.1 1.0 O A:HOH1096 4.8 36.7 1.0 O A:HOH1138 4.8 31.1 1.0 O A:HOH937 4.9 14.0 1.0

D.Lecerof, M.N.Fodje, R.A.Leon, U.Olsson, A.Hansson, E.Sigfridsson, U.Ryde, M.Hansson, S.Al-Karadaghi. Metal Binding to Bacillus Subtilis Ferrochelatase and Interaction Between Metal Sites J.Biol.Inorg.Chem. V. 8 452 2003.
ISSN: ISSN 0949-8257
PubMed: 12761666