Chlorine in PDB 6g9i: Crystal Structure of Ebolavirus Glycoprotein in Complex with Clomipramine

The structure of Crystal Structure of Ebolavirus Glycoprotein in Complex with Clomipramine, PDB code: 6g9i was solved by Y.Zhao, J.Ren, E.E.Fry, J.Xiao, A.R.Townsend, D.I.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.10 / 2.19
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	114.206, 114.206, 306.426, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 20.8

The binding sites of Chlorine atom in the Crystal Structure of Ebolavirus Glycoprotein in Complex with Clomipramine (pdb code 6g9i). 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 Ebolavirus Glycoprotein in Complex with Clomipramine, PDB code: 6g9i:

Chlorine binding site 1 out of 1 in the Crystal Structure of Ebolavirus Glycoprotein in Complex with Clomipramine


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 Ebolavirus Glycoprotein in Complex with Clomipramine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl707 b:1.0 occ:1.00 CL2 B:CXX707 0.0 1.0 1.0 C2 B:CXX707 1.8 0.7 1.0 C3 B:CXX707 2.8 0.9 1.0 C1 B:CXX707 2.8 0.5 1.0 C4 B:CXX707 4.1 0.3 1.0 C14 B:CXX707 4.1 0.2 1.0 NH1 A:ARG64 4.3 89.6 1.0 CD A:ARG64 4.5 75.6 1.0 C13 B:CXX707 4.6 0.9 1.0 CG A:ARG64 4.8 70.1 1.0 CD1 A:LEU186 4.9 83.5 1.0

Y.Zhao, J.Ren, E.E.Fry, J.Xiao, A.R.Townsend, D.I.Stuart. Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem. V. 61 4938 2018.
ISSN: ISSN 1520-4804
PubMed: 29741894
DOI: 10.1021/ACS.JMEDCHEM.8B00350