Chlorine in PDB 7fh6: Friedel-Crafts Alkylation Enzyme Cylk

The structure of Friedel-Crafts Alkylation Enzyme Cylk, PDB code: 7fh6 was solved by L.Liu, H.Q.Wang, Z.Xiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.84 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.45, 78.44, 126.56, 90, 90, 90
R / Rfree (%)	15.2 / 17.8

The structure of Friedel-Crafts Alkylation Enzyme Cylk also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Calcium	(Ca)	12 atoms

The binding sites of Chlorine atom in the Friedel-Crafts Alkylation Enzyme Cylk (pdb code 7fh6). 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 Friedel-Crafts Alkylation Enzyme Cylk, PDB code: 7fh6:

Chlorine binding site 1 out of 1 in the Friedel-Crafts Alkylation Enzyme Cylk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Friedel-Crafts Alkylation Enzyme Cylk within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl716 b:14.1 occ:1.00 OH A:TYR473 3.1 13.4 1.0 NH1 A:ARG105 3.3 14.1 1.0 O A:HOH958 3.3 12.5 1.0 CA A:THR84 3.5 9.9 1.0 CB A:THR84 3.6 9.4 1.0 CE2 A:TYR473 3.6 11.8 1.0 CE2 A:PHE499 3.7 12.0 1.0 N A:VAL85 3.8 10.4 1.0 CZ A:TYR473 3.8 12.1 1.0 O A:HOH1320 4.0 37.0 1.0 CG2 A:THR84 4.0 11.5 1.0 C A:THR84 4.2 11.2 1.0 CG2 A:VAL85 4.2 14.2 1.0 CZ A:PHE499 4.3 10.5 1.0 CZ A:ARG105 4.3 14.0 1.0 O A:LEU83 4.3 13.8 1.0 OD2 A:ASP440 4.4 15.3 1.0 NH2 A:ARG105 4.4 13.1 1.0 N A:THR84 4.6 10.9 1.0 CD2 A:PHE499 4.7 10.1 1.0 OG1 A:THR84 4.8 10.8 1.0 CD2 A:TYR473 4.9 12.1 1.0 C A:LEU83 4.9 12.7 1.0 CB A:VAL85 5.0 13.0 1.0

H.Q.Wang, S.B.Mou, W.Xiao, H.Zhou, X.D.Hou, S.J.Wang, Q.Wang, J.Gao, Z.Wei, L.Liu, Z.Xiang. Structural Basis For the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis Acs Catal. V. 12 2108 2022.
DOI: 10.1021/ACSCATAL.1C04816