Chlorine in PDB 6cml: Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093)

All present enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093):
6.1.1.10;

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093), PDB code: 6cml was solved by X.Barros-Alvarez, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	104.14 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.640, 106.230, 208.280, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 23.1

The binding sites of Chlorine atom in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093) (pdb code 6cml). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093), PDB code: 6cml:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:75.2 occ:1.00 CL B:96S801 0.0 75.2 1.0 C10 B:96S801 1.7 54.9 1.0 C9 B:96S801 2.6 50.9 1.0 C4 B:96S801 2.7 53.0 1.0 C3 B:96S801 3.0 54.4 1.0 CE3 B:TRP474 3.8 51.5 1.0 C2 B:96S801 3.8 55.2 1.0 CB B:PHE522 3.9 49.7 1.0 C7 B:96S801 3.9 48.1 1.0 C5 B:96S801 3.9 49.1 1.0 CZ3 B:TRP474 4.0 50.0 1.0 CD2 B:PHE522 4.1 48.1 1.0 CG B:PHE522 4.1 47.8 1.0 CG2 B:VAL473 4.1 71.2 1.0 CG B:LEU478 4.2 48.3 1.0 CD2 B:LEU478 4.4 49.2 1.0 C6 B:96S801 4.4 47.1 1.0 C11 B:96S801 4.5 54.3 1.0 CB B:ALA477 4.5 49.4 1.0 N B:96S801 4.6 59.8 1.0 CD1 B:LEU478 4.7 49.3 1.0 O B:VAL473 4.7 47.3 1.0 CA B:TRP474 4.8 48.4 1.0 C1 B:96S801 4.9 61.9 1.0 CE2 B:PHE522 4.9 46.3 1.0 CD2 B:TRP474 5.0 49.1 1.0 CD1 B:PHE522 5.0 47.5 1.0

Chlorine binding site 2 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:56.6 occ:1.00 CL1 B:96S801 0.0 56.6 1.0 C15 B:96S801 1.7 53.9 1.0 N3 B:96S801 2.6 53.6 1.0 C16 B:96S801 2.7 54.4 1.0 CD1 B:LEU456 3.6 64.8 1.0 CA B:GLY290 3.7 53.1 1.0 O B:VAL471 3.8 44.4 1.0 O B:HOH906 3.8 47.1 1.0 C14 B:96S801 3.8 56.3 1.0 CD1 B:TYR472 3.9 53.3 1.0 C17 B:96S801 3.9 57.0 1.0 N B:GLY290 4.0 48.9 1.0 O B:HOH927 4.1 42.4 1.0 CD2 B:LEU456 4.1 64.7 1.0 N B:VAL473 4.2 51.2 1.0 CA B:TYR472 4.2 51.1 1.0 CB B:ALA460 4.2 47.0 1.0 C B:TYR472 4.2 51.9 1.0 CE1 B:TYR472 4.3 54.4 1.0 C18 B:96S801 4.4 56.2 1.0 CG B:LEU456 4.5 65.1 1.0 C B:HIS289 4.6 44.5 1.0 CB B:HIS289 4.7 44.0 1.0 O B:TYR472 4.7 52.0 1.0 CA B:VAL473 4.7 55.7 1.0 C B:VAL471 4.8 46.5 1.0 CG B:TYR472 4.8 53.6 1.0 O B:TRP459 4.8 49.9 1.0 C B:GLY290 5.0 54.8 1.0 O B:HIS289 5.0 41.7 1.0 N2 B:96S801 5.0 54.0 1.0 N B:TYR472 5.0 48.0 1.0

X.Barros-Alvarez, W.G.J.Hol. Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (Chem 2093) To Be Published.