Chlorine in PDB 6erd: Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species.

All present enzymatic activity of Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species.:
2.3.1.82;

The structure of Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species., PDB code: 6erd was solved by H.L.Silvestre, V.M.Bolanos-Garcia, J.L.Asensio, T.L.Blundell, A.Bastida, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.97 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.520, 84.170, 72.080, 90.00, 98.49, 90.00
R / Rfree (%)	16.4 / 20.1

The binding sites of Chlorine atom in the Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species. (pdb code 6erd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species., PDB code: 6erd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species.


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 A Putative Acetyltransferase From Bacillus Cereus Species. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:33.1 occ:1.00 N A:GLU81 3.2 27.5 1.0 CB A:ASP80 3.5 27.2 1.0 CB A:GLU81 3.7 35.2 1.0 CA A:ASP80 3.7 24.5 1.0 NZ A:LYS55 3.7 28.9 1.0 O A:HOH518 3.7 36.7 1.0 C A:ASP80 3.9 23.2 1.0 O A:HOH429 4.0 28.9 1.0 CA A:GLU81 4.0 29.9 1.0 CG A:ASP80 4.8 31.6 1.0 CD1 A:ILE58 4.9 19.6 1.0 O A:HOH407 4.9 44.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species.


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 A Putative Acetyltransferase From Bacillus Cereus Species. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:37.3 occ:1.00 N C:GLU81 3.2 27.6 1.0 N B:SER48 3.4 29.0 1.0 OG B:SER48 3.6 35.4 1.0 CB C:ASP80 3.6 29.1 1.0 NZ C:LYS55 3.6 38.3 1.0 CB C:GLU81 3.7 39.2 1.0 CA C:ASP80 3.7 27.1 1.0 CA B:GLU47 3.8 33.1 1.0 O B:HOH445 3.8 33.7 1.0 C C:ASP80 4.0 27.3 1.0 CA C:GLU81 4.0 31.6 1.0 C B:GLU47 4.1 31.4 1.0 CB B:GLU47 4.2 37.1 1.0 CB B:SER48 4.3 31.7 1.0 CA B:SER48 4.5 30.5 1.0 CG B:GLU47 4.5 43.3 1.0 O C:HOH436 4.5 39.8 1.0 O B:LEU46 4.5 35.7 1.0 CG C:ASP80 4.9 32.8 1.0 N B:GLU47 4.9 31.7 1.0 CD1 C:ILE58 5.0 22.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species.


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 A Putative Acetyltransferase From Bacillus Cereus Species. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:47.6 occ:1.00 O B:HOH405 3.0 25.3 1.0 O B:HOH415 3.4 19.3 1.0 NE B:ARG123 3.5 19.5 1.0 O B:HOH430 3.6 25.7 1.0 O3 B:GOL301 3.6 54.8 1.0 CD B:ARG123 3.7 18.6 1.0 O B:HOH480 3.8 26.9 1.0 O B:HOH492 3.8 45.6 1.0 CA B:GLY125 4.1 18.1 1.0 CG B:ARG123 4.1 18.2 1.0 O B:ILE124 4.3 20.0 1.0 O1 B:GOL301 4.5 44.5 1.0 CZ B:ARG123 4.6 20.0 1.0 C3 B:GOL301 4.7 50.5 1.0 O B:HOH478 4.8 27.4 1.0 N B:GLY125 4.8 17.9 1.0 C B:ILE124 4.9 17.9 1.0 O B:HOH499 5.0 45.4 1.0 NH2 B:ARG123 5.0 20.1 1.0

H.L.Silvestre, V.M.Bolanos-Garcia, T.L.Blundell, A.Bastida. Crystal Structure of A Putative Acetyltransferase From Bacillus Cereus Species. To Be Published.