Chlorine in PDB 3kzp: Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes

The structure of Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes, PDB code: 3kzp was solved by M.M.Klimecka, M.Chruszcz, M.D.Zimmerman, M.Kudritska, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.766, 92.040, 96.210, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.9

The structure of Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes also contains other interesting chemical elements:

Arsenic	(As)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes (pdb code 3kzp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes, PDB code: 3kzp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes


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 Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl236 b:48.2 occ:1.00 O A:HOH343 2.8 20.2 1.0 N A:ILE223 2.9 25.5 1.0 O A:HOH294 3.0 13.9 1.0 N A:SER222 3.1 31.3 1.0 O A:ILE223 3.6 19.9 1.0 CA A:SER222 3.7 30.1 1.0 C A:SER222 3.8 28.7 1.0 CG A:GLN196 3.8 19.1 1.0 CA A:ILE223 3.8 23.2 1.0 CB A:SER222 3.9 30.8 1.0 CB A:ALA192 3.9 8.8 1.0 O A:GLY220 3.9 35.8 1.0 C A:VAL221 4.0 31.4 1.0 C A:ILE223 4.1 22.3 1.0 CB A:ILE223 4.1 23.1 1.0 O A:ALA192 4.1 10.5 1.0 CA A:VAL221 4.3 32.4 1.0 C A:ALA192 4.4 9.8 1.0 CD A:GLN196 4.6 23.9 1.0 CA A:ALA192 4.6 9.5 1.0 NE2 A:GLN196 4.7 26.6 1.0 CG1 A:ILE223 4.7 23.0 1.0 C A:GLY220 4.9 35.8 1.0 O A:VAL221 5.0 30.9 1.0 O A:SER222 5.0 28.7 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes


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 Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl237 b:21.2 occ:1.00 O A:HOH280 3.0 23.8 1.0 O A:HOH382 3.0 20.4 1.0 O A:HOH363 3.2 36.6 1.0 N A:LEU28 3.3 12.4 1.0 ND2 A:ASN78 3.3 13.7 1.0 O A:HOH256 3.7 11.3 1.0 CA A:LEU27 3.8 11.3 1.0 CB A:ASN78 3.9 12.8 1.0 CB A:LEU28 3.9 14.9 1.0 CE1 A:PHE37 3.9 19.1 1.0 CG A:ASN78 4.0 13.5 1.0 C A:LEU27 4.0 12.5 1.0 O A:ILE26 4.1 14.9 1.0 CA A:LEU28 4.2 13.9 1.0 CD2 A:LEU27 4.2 10.7 1.0 CG A:LEU28 4.3 20.6 1.0 CD1 A:PHE37 4.3 22.2 1.0 CB A:LEU27 4.5 11.9 1.0 N A:LEU27 4.8 12.0 1.0 O A:HOH359 4.8 25.9 1.0 C A:ILE26 4.8 13.1 1.0 O A:LEU28 4.9 11.3 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes


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 Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl238 b:27.1 occ:1.00 OG A:SER150 3.1 13.7 1.0 OG B:SER150 3.2 13.9 1.0 CA B:SER150 3.6 11.5 1.0 CA A:SER150 3.6 11.4 1.0 CB A:SER150 3.7 12.4 1.0 CB B:SER150 3.7 14.2 1.0 CA B:SER155 3.7 12.3 1.0 CA A:SER155 3.7 10.6 1.0 N A:LEU156 3.8 10.7 1.0 N B:LEU156 3.8 12.2 1.0 CB A:SER155 4.0 10.3 1.0 CB B:SER155 4.1 12.0 1.0 C A:SER155 4.3 11.0 1.0 C B:SER155 4.3 11.7 1.0 N B:SER150 4.4 11.7 1.0 N A:SER150 4.4 12.7 1.0 C B:SER150 4.5 11.2 1.0 C A:SER150 4.6 11.0 1.0 CZ2 A:TRP191 4.7 12.5 1.0 O B:SER150 4.7 10.2 1.0 CZ2 B:TRP191 4.7 11.0 1.0 O A:SER150 4.8 10.1 1.0 O B:ASN154 4.9 11.0 1.0 N B:SER155 4.9 11.7 1.0 O A:ASN154 4.9 10.2 1.0 N A:SER155 4.9 11.8 1.0 CB A:LEU156 4.9 10.3 1.0 CB B:LEU156 4.9 10.4 1.0 CA A:LEU156 4.9 10.8 1.0 CA B:LEU156 5.0 11.2 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes


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 Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl239 b:41.3 occ:1.00 O A:HOH371 3.0 19.9 1.0 N A:ASN178 3.1 26.4 1.0 O A:HOH409 3.2 30.7 1.0 C A:PHE176 3.6 23.2 1.0 N A:ILE179 3.6 24.9 1.0 CA A:ASN178 3.6 26.5 1.0 CA A:PHE176 3.7 21.6 1.0 CB A:ASN178 3.7 26.8 1.0 CG1 A:ILE179 3.7 25.8 1.0 CE B:MSE160 3.7 31.6 1.0 C A:ASN178 3.9 26.0 1.0 N A:LYS177 3.9 25.6 1.0 O A:PHE176 3.9 21.4 1.0 CG B:MSE160 4.0 24.0 1.0 C A:LYS177 4.2 27.1 1.0 ND2 A:ASN178 4.3 27.2 1.0 O A:HIS175 4.3 20.0 1.0 CB B:MSE160 4.4 16.0 1.0 CG A:ASN178 4.4 26.2 1.0 CB A:PHE176 4.5 22.2 1.0 CD1 A:ILE179 4.5 21.1 1.0 CA A:LYS177 4.5 27.0 1.0 SE B:MSE160 4.6 38.9 1.0 CD1 A:PHE176 4.7 19.6 1.0 CB A:ILE179 4.7 24.2 1.0 CA A:ILE179 4.7 24.7 1.0 N A:PHE176 4.7 21.1 1.0 O A:ASN178 4.7 25.9 1.0 C A:HIS175 5.0 20.9 1.0 O B:HOH266 5.0 17.1 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes


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 Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl236 b:22.1 occ:1.00 O B:HOH271 3.0 18.2 1.0 O B:HOH309 3.2 27.6 1.0 O B:HOH317 3.2 22.4 1.0 N B:LEU28 3.3 10.7 0.5 N B:LEU28 3.3 10.6 0.5 ND2 B:ASN78 3.4 15.1 1.0 O B:HOH241 3.7 14.5 1.0 CA B:LEU27 3.7 10.8 1.0 CB B:ASN78 3.8 12.7 1.0 CG B:LEU28 3.8 10.1 0.5 CE1 B:PHE37 3.9 18.4 1.0 C B:LEU27 4.0 11.3 1.0 CG B:ASN78 4.0 14.7 1.0 O B:ILE26 4.1 14.6 1.0 CB B:LEU28 4.1 10.4 0.5 CB B:LEU28 4.1 10.4 0.5 CA B:LEU28 4.3 10.8 0.5 CA B:LEU28 4.3 10.8 0.5 CD2 B:LEU27 4.3 11.3 1.0 CD1 B:PHE37 4.4 22.3 1.0 CD1 B:LEU28 4.4 7.0 0.5 CB B:LEU27 4.5 11.2 1.0 O B:HOH356 4.6 36.6 1.0 N B:LEU27 4.7 12.4 1.0 C B:ILE26 4.8 13.4 1.0 CD2 B:LEU28 4.9 11.3 0.5 O B:LEU28 4.9 10.8 0.5 O B:LEU28 5.0 10.8 0.5 CD2 B:LEU28 5.0 12.1 0.5 CA B:ASN78 5.0 13.4 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl238 b:53.6 occ:1.00 N B:ILE87 3.1 14.5 1.0 NE2 B:HIS117 3.1 22.3 1.0 CA B:TYR86 3.4 13.3 1.0 O B:PHE85 3.5 14.1 1.0 C B:TYR86 3.8 13.6 1.0 CE1 B:HIS117 3.8 22.4 1.0 CG1 B:ILE87 3.8 19.1 1.0 CG2 B:ILE87 3.8 18.3 1.0 CD1 B:TYR86 3.9 17.6 1.0 CD2 B:HIS117 3.9 20.0 1.0 CB B:ILE87 4.1 16.6 1.0 CA B:ILE87 4.2 16.2 1.0 C B:PHE85 4.3 12.1 1.0 CB B:TYR86 4.4 12.3 1.0 N B:TYR86 4.4 12.1 1.0 CD1 B:ILE87 4.6 22.9 1.0 CG B:TYR86 4.6 14.7 1.0 ND1 B:HIS117 4.8 23.2 1.0 CE1 B:TYR86 4.8 17.2 1.0 CG B:HIS117 4.9 18.5 1.0 CD B:GLU49 4.9 29.7 1.0 OE2 B:GLU49 4.9 31.1 1.0 O B:TYR86 5.0 11.8 1.0

M.M.Klimecka, M.Chruszcz, M.D.Zimmerman, M.Kudritska, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor. Crystal Structure of Putative Diguanylate Cyclase/Phosphodiesterase From Listaria Monocytigenes To Be Published.