Chlorine in PDB 6w57: Trypanosoma Cruzi Malic Enzyme in Complex with Inhibitor (MEC069)

The structure of Trypanosoma Cruzi Malic Enzyme in Complex with Inhibitor (MEC069), PDB code: 6w57 was solved by G.F.Mercaldi, M.Fagundes, J.N.Faria, A.T.Cordeiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.19 / 1.78
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.365, 73.365, 233.185, 90, 90, 90
R / Rfree (%)	17.8 / 20.1

The structure of Trypanosoma Cruzi Malic Enzyme in Complex with Inhibitor (MEC069) also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Trypanosoma Cruzi Malic Enzyme in Complex with Inhibitor (MEC069) (pdb code 6w57). 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 Trypanosoma Cruzi Malic Enzyme in Complex with Inhibitor (MEC069), PDB code: 6w57:

Chlorine binding site 1 out of 1 in the Trypanosoma Cruzi Malic Enzyme in Complex with Inhibitor (MEC069)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanosoma Cruzi Malic Enzyme in Complex with Inhibitor (MEC069) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:23.9 occ:1.00 CL1 A:SZG602 0.0 23.9 1.0 C9 A:SZG602 1.7 21.9 1.0 C10 A:SZG602 2.7 21.1 1.0 C8 A:SZG602 2.7 21.8 1.0 N1 A:SZG602 2.9 23.3 1.0 O A:HOH819 3.5 28.8 1.0 O A:PHE116 3.5 22.5 1.0 OH A:TYR122 3.5 28.6 1.0 CA A:PHE116 3.9 20.9 1.0 CD1 A:PHE116 3.9 19.6 1.0 C11 A:SZG602 4.0 19.7 1.0 C13 A:SZG602 4.0 21.0 1.0 CB A:PHE116 4.1 20.4 1.0 C A:PHE116 4.1 24.5 1.0 CG A:PHE116 4.2 20.9 1.0 C7 A:SZG602 4.2 24.5 1.0 CZ A:TYR122 4.3 24.6 1.0 C12 A:SZG602 4.5 19.6 1.0 C6 A:SZG602 4.6 29.8 1.0 CE1 A:PHE116 4.7 19.9 1.0 CE1 A:TYR122 4.7 25.4 1.0 C5 A:SZG602 4.9 27.0 1.0

G.F.Mercaldi, M.Fagundes, J.N.Faria, F.F.Naciuk, M.Bruder, A.T.Cordeiro. Trypanosoma Cruzi Malic Enzyme in Complex with Inhibitors To Be Published.