Magnesium in PDB 4z5q: Crystal Structure of the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution

The structure of Crystal Structure of the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution, PDB code: 4z5q was solved by M.Ma, J.Lohman, J.Rudolf, M.D.Miller, H.Cao, J.Osipiuk, A.Joachimiak, G.N.Phillips Jr., B.Shen, Midwest Center For Structural Genomics(Mcsg), Enzyme Discovery For Natural Product Biosynthesis (Natpro), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.88 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.307, 83.434, 48.192, 90.00, 97.67, 90.00
R / Rfree (%)	15.9 / 20

The structure of Crystal Structure of the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution (pdb code 4z5q). 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 the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution, PDB code: 4z5q:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution


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 the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:24.9 occ:1.00 O A:HOH547 2.1 23.6 1.0 O A:HOH546 2.2 28.8 1.0 O A:HOH544 2.2 29.1 1.0 O A:HOH545 2.2 24.4 1.0 OD1 A:ASP64 2.2 22.8 1.0 CG A:ASP64 3.3 21.8 1.0 CB A:ASP64 3.9 21.6 1.0 NH2 A:ARG66 4.1 29.6 1.0 CD1 A:PHE60 4.3 20.1 1.0 CE1 A:PHE60 4.4 20.6 1.0 CA A:ASP64 4.4 20.4 1.0 OD2 A:ASP64 4.4 21.6 1.0 O A:HOH426 4.4 25.6 1.0 OG1 A:THR63 4.5 20.9 1.0 O A:HOH541 4.7 64.4 1.0 N A:ASP64 5.0 20.1 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution


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 the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:40.0 occ:1.00 O A:HOH551 2.2 46.2 1.0 O A:HOH549 2.2 41.3 1.0 O A:HOH548 2.2 41.8 1.0 O A:HOH552 2.2 44.2 1.0 OD1 A:ASP198 2.2 24.1 1.0 O A:HOH550 2.2 36.4 1.0 CG A:ASP198 3.2 23.1 1.0 OD2 A:ASP198 3.5 28.6 1.0 OE2 A:GLU197 4.2 39.2 1.0 CB A:ASP198 4.5 20.5 1.0 O A:LYS194 4.5 17.8 1.0 CA A:ASP198 4.7 20.1 1.0 CD A:GLU197 4.7 31.4 1.0 N A:ASP198 4.8 18.5 1.0 CG A:GLU197 4.8 23.6 1.0 O A:HOH449 5.0 30.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution


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 the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:41.5 occ:1.00 OE1 A:GLU271 2.1 42.5 1.0 O A:HOH557 2.2 34.4 1.0 O A:HOH556 2.2 36.4 1.0 O A:HOH554 2.2 38.6 1.0 O A:HOH555 2.2 44.9 1.0 O A:HOH553 2.2 47.9 1.0 CD A:GLU271 2.9 42.0 1.0 OE2 A:GLU271 3.1 53.1 1.0 O A:HOH462 4.1 34.7 1.0 CG A:GLU271 4.2 36.3 1.0 OD1 A:ASP269 4.3 34.8 1.0 O A:HOH487 4.3 39.6 1.0 CB A:GLU271 4.6 31.6 1.0

M.Ma, J.Lohman, J.Rudolf, M.D.Miller, H.Cao, J.Osipiuk, A.Joachimiak, G.N.Phillips Jr., B.Shen. Crystal Structure of the Lnmz Cytochrome P450 Hydroxylase From the Leinamycin Biosynthetic Pathway of Streptomyces Atroolivaceus S-140 To Be Published.