Chlorine in PDB 8k5t: The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine

All present enzymatic activity of The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine:
6.2.1.71; 6.3.2.14;

The structure of The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine, PDB code: 8k5t was solved by A.Miyanaga, F.Ishikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.65 / 2.80
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	123.971, 56.866, 171.888, 90, 96.44, 90
R / Rfree (%)	20.4 / 24.6

The binding sites of Chlorine atom in the The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine (pdb code 8k5t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine, PDB code: 8k5t:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:85.5 occ:1.00 CL A:VQ5601 0.0 85.5 1.0 C16 A:VQ5601 1.8 65.5 1.0 OG A:SER240 2.5 30.1 1.0 C15 A:VQ5601 2.7 58.7 1.0 C17 A:VQ5601 2.8 63.4 1.0 C20 A:VQ5601 2.8 57.6 1.0 O A:GLY235 3.3 32.7 1.0 CB A:SER240 3.4 29.3 1.0 C A:GLY235 3.5 33.1 1.0 N A:TYR236 3.5 32.6 1.0 CA A:TYR236 3.5 32.4 1.0 CG2 A:VAL339 4.0 30.4 1.0 C14 A:VQ5601 4.0 56.9 1.0 C18 A:VQ5601 4.1 60.8 1.0 CB A:TYR236 4.1 31.1 1.0 CA A:GLY235 4.3 32.5 1.0 OG A:SER239 4.4 36.9 1.0 C19 A:VQ5601 4.6 58.6 1.0 CA A:SER240 4.7 29.8 1.0 CG1 A:VAL339 4.8 32.1 1.0 C A:TYR236 4.8 33.3 1.0 N A:SER240 4.9 28.9 1.0 O A:MET334 4.9 30.6 1.0 N A:MET334 4.9 31.9 1.0 CA A:GLY333 5.0 31.8 1.0

Chlorine binding site 2 out of 2 in the The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Ente WITH2-Methyl-3-Chloro-Benzoic Acid Sulfamoyl Adenosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:83.5 occ:1.00 CL B:VQ5601 0.0 83.5 1.0 C16 B:VQ5601 1.8 57.2 1.0 OG B:SER240 2.5 39.9 1.0 C15 B:VQ5601 2.7 52.1 1.0 C17 B:VQ5601 2.8 54.2 1.0 C20 B:VQ5601 2.8 54.2 1.0 O B:GLY235 3.2 29.1 1.0 C B:GLY235 3.3 28.7 1.0 N B:TYR236 3.5 29.0 1.0 CB B:SER240 3.5 37.6 1.0 CA B:TYR236 3.6 30.6 1.0 C14 B:VQ5601 4.1 47.9 1.0 CG2 B:VAL339 4.1 28.4 1.0 C18 B:VQ5601 4.1 50.9 1.0 CA B:GLY235 4.1 28.1 1.0 OG B:SER239 4.2 41.6 1.0 CB B:TYR236 4.2 31.1 1.0 C19 B:VQ5601 4.6 48.6 1.0 CA B:SER240 4.8 37.8 1.0 O B:MET334 4.8 28.5 1.0 C B:TYR236 4.8 31.4 1.0 N B:SER240 4.9 37.5 1.0 N B:MET334 4.9 31.6 1.0 CG1 B:VAL339 5.0 29.5 1.0

F.Ishikawa, A.Miyanaga, F.Kudo, T.Eguchi, G.Tanabe. Reprogrammed Aryl Acid Adenylation Domain with An Enlarged Substrate Binding Pocket To Be Published.