Chlorine in PDB 3f75: Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide

All present enzymatic activity of Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide:
3.4.22.15;

The structure of Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide, PDB code: 3f75 was solved by E.T.Larson, E.A.Merritt, Medical Structural Genomics Of Pathogenicprotozoa (Msgpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.98 / 1.99
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.621, 65.621, 149.772, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.6

The structure of Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Chlorine atom in the Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide (pdb code 3f75). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide, PDB code: 3f75:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:26.6 occ:1.00 N A:MET147 3.2 10.2 1.0 NH1 P:ARG170 3.2 8.9 1.0 CG A:MET147 3.6 19.3 1.0 CB A:MET147 3.7 10.7 1.0 CD P:ARG170 3.8 17.0 1.0 CA A:GLN146 3.9 12.7 1.0 C A:GLN146 4.0 11.4 1.0 CA A:MET147 4.1 10.1 1.0 CB A:GLN146 4.1 12.4 1.0 SD A:MET147 4.1 24.6 1.0 CZ P:ARG170 4.2 15.6 1.0 NE P:ARG170 4.4 16.7 1.0 CD A:PRO148 4.5 11.2 1.0 CG A:GLN146 4.5 14.6 1.0 O A:HOH414 4.6 12.4 1.0

Chlorine binding site 2 out of 2 in the Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Activated Toxoplasma Gondii Cathepsin L (Tgcpl) in Complex with Its Propeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:23.2 occ:0.75 BR P:BR201 0.1 24.0 0.2 N P:TYR128 3.4 12.9 1.0 NE2 P:GLN121 3.6 20.9 1.0 NZ P:LYS134 3.8 31.4 1.0 O P:TYR128 3.9 13.8 1.0 CA P:SER127 4.0 15.1 1.0 CD2 P:TYR128 4.0 15.9 1.0 CD P:LYS134 4.1 22.8 1.0 C P:SER127 4.2 15.2 1.0 CA P:TYR128 4.2 14.1 1.0 CB P:TYR128 4.2 15.6 1.0 CE P:LYS134 4.3 28.9 1.0 CB P:SER127 4.4 13.4 1.0 C P:TYR128 4.5 13.2 1.0 CG P:TYR128 4.6 14.9 1.0 CD P:GLN121 4.7 20.3 1.0 CG P:LYS134 4.8 19.6 1.0 OE1 P:GLN121 4.9 25.6 1.0 CE2 P:TYR128 5.0 13.7 1.0

E.T.Larson, F.Parussini, M.H.Huynh, J.D.Giebel, A.M.Kelley, L.Zhang, M.Bogyo, E.A.Merritt, V.B.Carruthers. Toxoplasma Gondii Cathepsin L Is the Primary Target of the Invasion-Inhibitory Compound Morpholinurea-Leucyl-Homophenyl-Vinyl Sulfone Phenyl. J.Biol.Chem. V. 284 26839 2009.
ISSN: ISSN 0021-9258
PubMed: 19596863
DOI: 10.1074/JBC.M109.003780