Chlorine in PDB 4lgq: Crystal Structure of A Putative Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution

The structure of Crystal Structure of A Putative Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution, PDB code: 4lgq was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.04 / 2.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.100, 98.076, 104.958, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of A Putative Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution (pdb code 4lgq). 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 Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution, PDB code: 4lgq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Putative Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution


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 Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:93.8 occ:1.00 NZ B:LYS85 3.6 46.5 1.0 OD2 B:ASP111 3.9 71.4 1.0 NE2 B:HIS123 4.0 52.3 1.0 CD1 B:ILE20 4.0 41.4 1.0 C5 B:PG4202 4.3 92.0 1.0 CZ B:PHE56 4.4 50.2 1.0 CE B:LYS85 4.6 54.9 1.0 CE1 B:PHE56 4.6 53.3 1.0 OG B:SER125 4.7 60.2 1.0 CE1 B:HIS123 4.7 51.3 1.0 CG B:ASP111 4.7 62.3 1.0 CD2 B:HIS123 4.9 53.0 1.0 CG1 B:ILE20 4.9 43.9 1.0 CZ B:PHE52 5.0 40.4 1.0 O4 B:PG4202 5.0 83.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Putative Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution


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 Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:0.1 occ:1.00 NZ C:LYS85 3.5 66.6 1.0 OD2 C:ASP111 4.1 86.4 1.0 CD1 C:ILE20 4.2 68.2 1.0 OG C:SER125 4.2 74.5 1.0 O1 C:PEG203 4.2 87.1 1.0 NE2 C:HIS123 4.4 64.7 1.0 CE C:LYS85 4.4 60.5 1.0 O C:HOH312 4.5 67.1 1.0 CZ C:PHE56 4.8 76.2 1.0 CE1 C:PHE56 4.9 76.6 1.0 CG C:ASP111 5.0 74.9 1.0 CD1 C:ILE87 5.0 64.0 1.0 CE1 C:HIS123 5.0 65.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Putative Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution


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 Polyketide Cyclase (CV_0247) From Chromobacterium Violaceum Atcc 12472 at 2.72 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:98.8 occ:1.00 O D:HOH304 3.4 41.3 1.0 NZ D:LYS85 3.7 47.4 1.0 NE2 D:HIS123 4.1 48.6 1.0 OD2 D:ASP111 4.2 69.6 1.0 CD1 D:ILE20 4.2 52.3 1.0 CZ D:PHE56 4.3 47.1 1.0 O D:HOH337 4.4 38.6 1.0 OG D:SER125 4.5 58.5 1.0 CE1 D:PHE56 4.5 48.0 1.0 CE D:LYS85 4.7 43.3 1.0 CE1 D:HIS123 4.7 48.7 1.0 O2 D:EDO203 4.8 63.3 1.0 CZ D:PHE52 4.9 53.2 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.