Chlorine 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:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	11 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Friedel-Crafts Alkylating Enzyme Cylk From Cylindospermum Licheniforme, PDB code: 7ron:

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl823 b:20.8 occ:0.65 OH A:TYR473 2.8 18.9 1.0 NH1 A:ARG105 3.1 16.2 1.0 CA A:THR84 3.4 10.1 1.0 N A:VAL85 3.4 10.2 1.0 CE2 A:TYR473 3.4 17.6 1.0 CB A:THR84 3.5 10.5 1.0 CZ A:TYR473 3.6 18.2 1.0 CE2 A:PHE499 3.6 12.3 1.0 C A:THR84 3.9 10.4 1.0 CG2 A:VAL85 3.9 11.4 1.0 CZ A:ARG105 4.0 16.3 1.0 NH2 A:ARG105 4.0 15.9 1.0 CG2 A:THR84 4.1 11.0 1.0 O A:LEU83 4.4 11.4 1.0 CD2 A:PHE499 4.4 11.9 1.0 CZ A:PHE499 4.5 11.8 1.0 CB A:VAL85 4.5 11.0 1.0 CA A:VAL85 4.6 10.7 1.0 N A:THR84 4.6 10.6 1.0 OG1 A:THR84 4.7 10.3 1.0 CD2 A:TYR473 4.7 16.6 1.0 OD2 A:ASP440 4.8 36.7 1.0 C A:LEU83 4.9 11.0 1.0 CE1 A:TYR473 5.0 16.4 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