Magnesium in PDB 7roo: Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide

The structure of Crystal Structure of Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide, PDB code: 7roo 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)	46.78 / 1.52
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	93.47, 138.656, 99.511, 90, 90, 90
R / Rfree (%)	16.9 / 19.8

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

Sodium	(Na)	1 atom
Calcium	(Ca)	10 atoms
Bromine	(Br)	4 atoms

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

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


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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg722 b:11.3 occ:0.87 O A:ILE561 2.2 10.4 1.0 O A:HOH828 2.3 29.1 1.0 O A:HOH975 2.4 14.7 1.0 OD2 A:ASP502 2.4 9.6 1.0 OD1 A:ASP559 2.5 17.7 1.0 O A:HOH1157 3.1 21.0 1.0 C A:ILE561 3.4 10.4 1.0 CG A:ASP502 3.5 9.4 1.0 O A:HOH1188 3.5 27.0 1.0 CG A:ASP559 3.6 17.2 1.0 OD1 A:ASP502 3.9 10.4 1.0 N A:ILE561 3.9 9.1 1.0 O A:HOH890 4.0 18.0 1.0 O A:ASP559 4.0 10.8 1.0 C A:ASP559 4.2 8.9 1.0 CA A:ILE561 4.2 9.6 1.0 OD2 A:ASP559 4.2 18.1 1.0 CG2 A:ILE561 4.2 10.1 1.0 O A:HOH839 4.3 30.3 1.0 O A:HOH848 4.4 24.8 1.0 N A:ASP562 4.4 10.9 1.0 CA A:ASP559 4.4 9.7 1.0 CB A:ASP559 4.5 11.8 1.0 CA A:ASP562 4.6 11.2 1.0 N A:GLY560 4.7 9.4 1.0 O A:ILE503 4.7 10.1 1.0 OE2 A:GLU504 4.7 15.2 1.0 CB A:ASP502 4.8 8.7 1.0 CB A:ASP562 4.8 12.8 1.0 O A:HOH962 4.8 30.4 1.0 O A:VAL617 4.9 12.5 1.0 CB A:ILE561 4.9 9.5 1.0

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


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 Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg723 b:13.9 occ:0.93 O A:HOH1144 2.3 29.3 1.0 O A:HOH1150 2.3 19.8 1.0 O A:SER308 2.4 13.8 1.0 O A:GLY285 2.4 14.1 1.0 O A:HOH1062 2.5 16.6 1.0 OG A:SER308 2.5 14.1 1.0 C A:SER308 3.2 14.4 1.0 C A:GLY285 3.3 13.2 1.0 CB A:SER308 3.6 13.7 1.0 CA A:SER308 3.7 13.0 1.0 N A:SER308 3.8 13.0 1.0 CA A:GLY285 3.8 12.8 1.0 NH1 A:ARG309 4.0 14.7 1.0 N A:ARG309 4.2 12.8 1.0 O A:HOH1015 4.4 17.0 1.0 N A:GLY286 4.4 12.4 1.0 O2 A:EDO706 4.5 24.9 1.0 CA A:ARG309 4.6 12.3 1.0 CA A:GLY286 5.0 13.3 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