Chlorine in PDB 7di7: Falcilysin in Complex with Chloroquine

The structure of Falcilysin in Complex with Chloroquine, PDB code: 7di7 was solved by J.Q.Lin, A.El Sahili, J.Lescar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.20 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.94, 106.61, 127.81, 90, 90, 90
R / Rfree (%)	17.6 / 19.9

The structure of Falcilysin in Complex with Chloroquine also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Falcilysin in Complex with Chloroquine (pdb code 7di7). 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 Falcilysin in Complex with Chloroquine, PDB code: 7di7:

Chlorine binding site 1 out of 1 in the Falcilysin in Complex with Chloroquine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Falcilysin in Complex with Chloroquine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1203 b:39.9 occ:1.00 CL A:CLQ1203 0.0 39.9 1.0 C7 A:CLQ1203 1.8 34.1 1.0 C6 A:CLQ1203 2.6 33.6 1.0 C8 A:CLQ1203 2.8 39.3 1.0 CE2 A:PHE545 3.3 28.2 1.0 CZ A:PHE545 3.6 25.0 1.0 CD1 A:PHE527 3.8 24.9 1.0 C5 A:CLQ1203 3.9 32.9 1.0 CE1 A:PHE527 3.9 25.4 1.0 CG2 A:ILE544 4.0 28.9 1.0 CD2 A:PHE545 4.1 27.5 1.0 C9 A:CLQ1203 4.1 46.5 1.0 CZ A:PHE82 4.3 24.3 1.0 CE2 A:PHE82 4.5 24.2 1.0 C4 A:CLQ1203 4.5 40.8 1.0 CE1 A:PHE545 4.5 24.6 1.0 CG A:GLU530 4.5 28.7 1.0 CB A:GLU530 4.6 19.4 1.0 CD2 A:LEU514 4.8 31.0 1.0 CG A:PHE545 4.9 24.9 1.0 O A:ASP526 4.9 23.4 1.0 CA A:PHE527 5.0 18.0 1.0 CG A:PHE527 5.0 23.0 1.0

J.Q.Lin, A.El Sahili, J.Lescar. Protease in Complex with Compound To Be Published.