Chlorine in PDB 6pub: Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet

The structure of Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet, PDB code: 6pub was solved by Y.Kim, N.Maltseva, M.Kuhn, J.Stam, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.19 / 2.43
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.255, 83.255, 161.812, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 25.5

The binding sites of Chlorine atom in the Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet (pdb code 6pub). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet, PDB code: 6pub:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet


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 the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:64.9 occ:1.00 N A:HIS158 3.3 29.8 1.0 CB A:HIS158 3.7 30.1 1.0 CB A:LYS157 3.9 32.6 1.0 CA A:LYS157 3.9 30.6 1.0 C A:LYS157 4.1 29.6 1.0 CA A:HIS158 4.1 29.9 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:47.2 occ:1.00 N A:SER66 3.2 29.1 1.0 OG A:SER31 3.4 40.7 1.0 O A:SER31 3.5 36.0 1.0 O A:HOH428 3.8 49.9 1.0 CB A:SER66 3.8 28.4 1.0 CA A:GLY65 3.8 29.8 1.0 C A:GLY65 4.0 30.0 1.0 CA A:SER66 4.1 27.1 1.0 CL A:CL310 4.3 62.5 1.0 CB A:SER31 4.5 40.8 1.0 CB A:THR119 4.5 29.1 1.0 C A:SER31 4.6 37.1 1.0 OG1 A:THR119 4.8 30.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:62.5 occ:1.00 N A:THR119 3.6 27.4 1.0 CG2 A:THR119 4.0 28.6 1.0 CB A:THR119 4.0 29.1 1.0 CA A:GLY118 4.1 27.4 1.0 CL A:CL309 4.3 47.2 1.0 C A:GLY118 4.3 27.3 1.0 NE1 A:TRP116 4.3 31.1 1.0 CA A:GLY65 4.3 29.8 1.0 CA A:THR119 4.3 28.1 1.0 OG A:SER137 4.4 32.3 1.0 O A:HOH428 4.4 49.9 1.0 CZ2 A:TRP116 4.7 31.1 1.0 O A:ILE117 4.9 29.7 1.0 CE2 A:TRP116 4.9 30.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:82.3 occ:1.00 N A:ASP144 3.5 33.1 1.0 CG A:ASP144 3.8 34.3 1.0 CG A:LYS143 3.9 40.4 1.0 CB A:LYS143 4.0 37.2 1.0 OD1 A:ASP144 4.0 33.9 1.0 OD2 A:ASP144 4.0 35.5 1.0 CA A:LYS143 4.0 35.4 1.0 O A:HOH440 4.0 45.1 1.0 CB A:ASP144 4.1 33.3 1.0 NZ A:LYS143 4.2 50.1 1.0 C A:LYS143 4.3 34.5 1.0 CA A:ASP144 4.4 31.9 1.0 CD A:LYS143 4.8 44.0 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:80.3 occ:1.00 O3 A:SO4305 3.7 0.9 1.0 CE1 A:HIS131 3.7 31.4 1.0 O A:ILE129 3.8 31.5 1.0 CA A:GLY112 4.1 32.2 1.0 CG2 A:ILE110 4.1 34.2 1.0 ND1 A:HIS131 4.1 30.7 1.0 CA A:GLY130 4.3 30.6 1.0 N A:GLY112 4.3 31.5 1.0 NE2 A:HIS131 4.5 32.6 1.0 C A:ILE129 4.5 30.9 1.0 N A:GLY130 4.8 30.4 1.0 N A:HIS131 4.8 30.0 1.0 C A:GLY130 4.8 29.7 1.0 S A:SO4305 5.0 0.0 1.0 C A:ILE111 5.0 32.1 1.0

Y.Kim, N.Maltseva, M.Kuhn, J.Stam, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Type B Chloramphenicol Acetyltransferase From Vibrio Cholerae in the Complex with Crystal Violet To Be Published.