Magnesium in PDB 7ron: Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme

The structure of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme, PDB code: 7ron was solved by T.B.Ruskoski, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.41 / 1.68
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	93.667, 138.613, 99.438, 90, 90, 90
R / Rfree (%)	15.6 / 18.9

The structure of Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	11 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme (pdb code 7ron). 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 the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme, PDB code: 7ron:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme


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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg821 b:11.8 occ:0.90 O A:ILE561 2.2 10.3 1.0 O A:HOH1073 2.3 11.9 1.0 OD2 A:ASP502 2.4 9.3 1.0 OD1 A:ASP559 2.5 19.3 1.0 O A:HOH955 2.6 37.0 1.0 O A:HOH1230 3.1 30.1 1.0 C A:ILE561 3.5 9.9 1.0 CG A:ASP502 3.5 9.0 1.0 CG A:ASP559 3.6 16.9 1.0 OD1 A:ASP502 3.8 9.9 1.0 N A:ILE561 4.0 9.8 1.0 O A:ASP559 4.2 11.3 1.0 CA A:ILE561 4.3 9.4 1.0 CG2 A:ILE561 4.3 9.2 1.0 O A:HOH909 4.3 31.4 1.0 C A:ASP559 4.3 9.9 1.0 OD2 A:ASP559 4.3 17.9 1.0 N A:ASP562 4.4 10.1 1.0 CA A:ASP559 4.5 10.6 1.0 CB A:ASP559 4.6 12.2 1.0 CA A:ASP562 4.6 11.5 1.0 O A:ILE503 4.6 9.5 1.0 N A:GLY560 4.7 10.2 1.0 OE2 A:GLU504 4.7 16.1 1.0 CB A:ASP502 4.8 8.4 1.0 CB A:ASP562 4.9 13.2 1.0 O A:VAL617 4.9 10.2 1.0 CB A:ILE561 4.9 8.8 1.0 O A:HOH996 5.0 11.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme


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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg822 b:13.2 occ:0.79 O A:SER80 2.3 13.8 1.0 O A:HOH1213 2.3 28.2 1.0 O A:HOH1176 2.3 25.0 1.0 O A:ALA77 2.4 13.1 1.0 O A:HOH1206 2.4 17.4 1.0 O A:HOH1146 2.9 36.2 1.0 C A:SER80 3.5 11.6 1.0 C A:ALA77 3.5 13.9 1.0 O A:HOH1157 3.8 14.7 1.0 N A:SER80 4.1 12.0 1.0 OG A:SER80 4.2 13.6 1.0 CA A:ALA77 4.2 14.9 1.0 O A:HOH1228 4.2 25.0 1.0 O A:HOH930 4.2 22.9 1.0 CA A:SER80 4.3 12.1 1.0 ND2 A:ASN81 4.4 9.8 1.0 N A:ASN81 4.5 10.5 1.0 O A:HOH1091 4.5 26.1 1.0 C A:LYS78 4.5 14.3 1.0 N A:LYS78 4.5 14.8 1.0 O A:LYS78 4.6 15.9 1.0 CA A:LYS78 4.7 14.5 1.0 CB A:ALA77 4.7 14.9 1.0 CA A:ASN81 4.7 10.8 1.0 ND2 A:ASN348 4.9 19.2 1.0 CB A:SER80 4.9 12.7 1.0

N.R.Braffman, T.B.Ruskoski, K.M.Davis, N.R.Glasser, C.Johnson, C.D.Okafor, A.K.Boal, E.P.Balskus. Structural Basis For An Unprecedented Enzymatic Alkylation in Cylindrocyclophane Biosynthesis. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 35212625
DOI: 10.7554/ELIFE.75761