Magnesium in PDB 3m4z: Crystal Structure of B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site

All present enzymatic activity of Crystal Structure of B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site:
4.99.1.1;

The structure of Crystal Structure of B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site, PDB code: 3m4z was solved by C.A.G.Soderberg, M.D.Hansson, R.Sreekanth, S.Al-Karadaghi, M.Hansson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.410, 49.900, 118.080, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19.9

The structure of Crystal Structure of B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site also contains other interesting chemical elements:

Cobalt	(Co)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site (pdb code 3m4z). 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 B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site, PDB code: 3m4z:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of B. Subtilis Ferrochelatase with Cobalt Bound at the 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 B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg311 b:16.9 occ:0.80 O A:HOH509 2.0 20.2 1.0 O A:HOH513 2.1 28.3 1.0 O A:HOH511 2.1 27.6 1.0 O A:HOH424 2.1 23.5 1.0 O A:HOH510 2.2 18.3 1.0 O A:HOH512 2.2 24.3 1.0 OG A:SER145 3.7 13.7 1.0 OD2 A:ASP148 4.1 19.4 1.0 OD1 A:ASP148 4.2 15.9 1.0 O A:HOH395 4.2 21.9 1.0 O A:HOH430 4.4 23.0 1.0 O A:SER145 4.4 12.9 1.0 CG A:ASP148 4.6 17.3 1.0 CL A:CL314 4.6 19.0 1.0 CL A:CL315 4.8 19.3 1.0 O A:HOH401 4.9 22.0 1.0 C A:SER145 5.0 12.5 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of B. Subtilis Ferrochelatase with Cobalt Bound at the 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 B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg312 b:18.3 occ:0.60 O A:HOH534 1.9 32.3 1.0 O A:HOH535 2.0 39.0 1.0 O A:HOH453 2.0 33.9 1.0 O A:HOH459 2.0 22.8 1.0 O A:HOH456 2.1 29.8 1.0 O A:HOH394 2.2 32.1 1.0 OD2 A:ASP267 4.1 21.9 1.0 OE1 A:GLU271 4.3 21.0 1.0 OE2 A:GLU271 4.3 22.8 1.0 OD1 A:ASP267 4.4 23.0 1.0 CA A:SER221 4.4 17.4 1.0 CG A:ASP267 4.5 19.1 1.0 O A:GLU222 4.5 24.7 1.0 NH1 A:ARG45 4.5 29.2 1.0 O A:HOH353 4.6 16.6 1.0 CD A:GLU271 4.7 20.8 1.0 C A:SER221 4.8 18.8 1.0 O A:HOH474 4.9 27.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of B. Subtilis Ferrochelatase with Cobalt Bound at the 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 B. Subtilis Ferrochelatase with Cobalt Bound at the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg313 b:18.4 occ:0.60 OE2 A:GLU19 2.0 20.6 1.0 O A:HOH536 2.1 24.6 1.0 O A:HOH539 2.1 26.4 1.0 O A:HOH537 2.2 28.6 1.0 O A:HOH538 2.2 22.0 1.0 O A:HOH540 2.3 32.1 1.0 CD A:GLU19 3.1 18.1 1.0 OE1 A:GLU19 3.4 16.6 1.0 CG A:GLU19 4.4 15.0 1.0

M.D.Hansson, T.Karlberg, C.A.G.Soderberg, R.Sreekanth, M.J.Warren, S.Al-Karadaghi, S.E.J.Rigby, M.Hansson. Bacterial Ferrochelatase Goes Human: TYR13 Determines the Apparent Metal Specificity of Bacillus Subtilis Ferrochelatase To Be Published.