Fluorine in PDB 7fh8: Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A

The structure of Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A, PDB code: 7fh8 was solved by H.Q.Wang, Z.Wei, Z.Xiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.90 / 1.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.28, 78.46, 126.29, 90, 90, 90
R / Rfree (%)	12.1 / 15.4

The structure of Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A also contains other interesting chemical elements:

Chlorine	(Cl)	7 atoms
Magnesium	(Mg)	5 atoms
Calcium	(Ca)	12 atoms

The binding sites of Fluorine atom in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A (pdb code 7fh8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A, PDB code: 7fh8:

Fluorine binding site 1 out of 1 in the Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Friedel-Crafts Alkylation Enzyme Cylk Mutant H391A within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:38.4 occ:0.75 F06 A:4PJ701 0.0 38.4 0.8 C05 A:4PJ701 1.4 35.8 0.8 C04 A:4PJ701 2.3 35.2 0.8 C07 A:4PJ701 2.4 34.3 0.8 C03 A:4PJ701 2.7 34.9 0.8 CE1 A:PHE138 2.8 37.8 0.5 C08 A:4PJ701 3.0 32.9 0.8 CD1 A:PHE138 3.3 37.6 0.5 CE2 A:TYR37 3.4 31.1 1.0 OH A:TYR37 3.5 33.5 1.0 CG2 A:VAL41 3.6 33.2 1.0 CZ A:PHE138 3.8 38.1 0.5 CZ A:TYR37 3.8 31.6 1.0 CG1 A:VAL41 3.8 34.7 1.0 C02 A:4PJ701 4.0 34.3 0.8 CB A:VAL41 4.2 34.0 1.0 C09 A:4PJ701 4.3 32.0 0.8 CD2 A:TYR37 4.3 30.3 1.0 CG A:PHE138 4.5 37.2 0.5 CZ A:PHE138 4.6 36.1 0.5 CE2 A:PHE133 4.7 22.9 0.4 C01 A:4PJ701 4.8 34.4 0.8 CE2 A:PHE138 4.8 38.3 0.5 CE1 A:PHE76 4.9 23.4 1.0 CH2 A:TRP103 4.9 20.3 1.0 CZ A:PHE76 5.0 24.7 1.0 CE1 A:TYR37 5.0 30.9 1.0 CE2 A:PHE138 5.0 36.1 0.5

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