Chlorine in PDB 8u00: Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides

The structure of Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides, PDB code: 8u00 was solved by Y.Kim, N.Maltseva, M.Endres, A.Joachimiak, Center For Structural Biologyof Infectious Diseases (Csbid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.10 / 1.85
Space group	P 42
Cell size a, b, c (Å), α, β, γ (°)	85.341, 85.341, 78.844, 90, 90, 90
R / Rfree (%)	18.9 / 22.5

The structure of Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Zinc	(Zn)	6 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides (pdb code 8u00). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides, PDB code: 8u00:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides


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 Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:39.3 occ:1.00 ZN A:ZN303 2.3 39.4 1.0 CB A:SER197 3.5 43.2 1.0 CE1 A:HIS96 3.5 42.4 1.0 OG A:SER197 3.6 47.5 1.0 OD2 A:ASP100 3.7 36.5 1.0 NE2 A:HIS237 3.7 39.4 1.0 CB A:SER199 3.8 40.4 1.0 NE2 A:HIS101 3.8 36.8 1.0 O3 A:GOL308 3.9 60.5 1.0 OG A:SER199 4.0 43.1 1.0 O2 A:GOL308 4.1 66.8 1.0 NE2 A:HIS96 4.1 31.2 1.0 CD2 A:HIS237 4.2 42.8 1.0 ZN A:ZN304 4.2 38.5 1.0 CD2 A:HIS101 4.4 35.3 1.0 OD1 A:ASP100 4.5 33.3 1.0 CG A:ASP100 4.5 37.1 1.0 ND1 A:HIS96 4.6 35.4 1.0 NE2 A:HIS172 4.7 38.7 1.0 C2 A:GOL308 4.7 65.6 1.0 CE1 A:HIS237 4.9 45.6 1.0 CL A:CL307 4.9 39.2 1.0 CD2 A:HIS172 4.9 38.9 1.0 CE1 A:HIS101 5.0 37.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides


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 Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:39.2 occ:1.00 ZN A:ZN302 2.4 47.0 1.0 SG A:CYS196 3.2 43.2 0.3 N A:LEU198 3.2 36.9 1.0 CD2 A:HIS172 3.4 38.9 1.0 N A:SER197 3.4 39.9 1.0 N A:SER199 3.4 37.0 1.0 CB A:HIS172 3.5 41.7 1.0 CB A:SER197 3.5 43.2 1.0 CG A:HIS172 3.7 40.0 1.0 CA A:SER197 3.7 41.2 1.0 C A:SER197 3.7 42.3 1.0 ND1 A:HIS96 3.7 35.4 1.0 SG A:CYS176 3.8 43.7 1.0 CE1 A:HIS96 3.9 42.4 1.0 O A:HOH446 3.9 38.5 1.0 SG A:CYS196 4.0 41.9 0.7 CB A:SER199 4.0 40.4 1.0 CA A:LEU198 4.0 35.5 1.0 CG A:HIS96 4.2 37.6 1.0 C A:LEU198 4.2 41.3 1.0 CA A:SER199 4.3 40.1 1.0 CB A:CYS196 4.3 41.9 0.3 O A:HOH417 4.3 37.9 1.0 CB A:CYS196 4.3 42.8 0.7 OG A:SER197 4.4 47.5 1.0 NE2 A:HIS96 4.4 31.2 1.0 C A:CYS196 4.5 41.6 0.3 C A:CYS196 4.5 41.7 0.7 NE2 A:HIS172 4.5 38.7 1.0 CD2 A:HIS96 4.5 38.8 1.0 O A:SER197 4.6 43.2 1.0 CB A:HIS96 4.7 39.1 1.0 O A:SER199 4.8 39.4 1.0 ND1 A:HIS172 4.9 37.5 1.0 CL A:CL306 4.9 39.3 1.0 CA A:HIS172 4.9 45.9 1.0 CA A:CYS196 4.9 40.6 0.3 CA A:CYS196 5.0 40.5 0.7

Chlorine binding site 3 out of 4 in the Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides


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 Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:38.5 occ:1.00 ZN B:ZN303 2.3 40.5 1.0 CB B:SER197 3.5 44.2 1.0 CE1 B:HIS96 3.6 42.0 1.0 OG B:SER197 3.6 48.1 1.0 NE2 B:HIS237 3.7 37.1 1.0 OD2 B:ASP100 3.7 35.4 1.0 O2 B:EDO301 3.7 55.6 1.0 CB B:SER199 3.8 40.4 1.0 NE2 B:HIS101 3.9 37.2 1.0 OG B:SER199 4.0 43.0 1.0 CD2 B:HIS237 4.1 40.6 1.0 NE2 B:HIS96 4.1 31.3 1.0 ZN B:ZN304 4.2 38.3 1.0 CD2 B:HIS101 4.4 35.0 1.0 OD1 B:ASP100 4.5 34.2 1.0 C2 B:EDO301 4.5 57.0 1.0 CG B:ASP100 4.6 36.9 1.0 ND1 B:HIS96 4.7 37.2 1.0 NE2 B:HIS172 4.7 39.6 1.0 CE1 B:HIS237 4.9 43.0 1.0 O1 B:EDO301 4.9 62.5 1.0 CL B:CL307 4.9 39.2 1.0 CD2 B:HIS172 5.0 38.3 1.0 CE1 B:HIS101 5.0 36.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides


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 Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:39.2 occ:1.00 ZN B:ZN302 2.4 47.0 1.0 N B:LEU198 3.2 35.9 1.0 SG B:CYS196 3.2 44.6 0.3 CD2 B:HIS172 3.3 38.3 1.0 N B:SER199 3.4 39.6 1.0 N B:SER197 3.4 40.4 1.0 CB B:HIS172 3.5 42.0 1.0 CB B:SER197 3.6 44.2 1.0 CG B:HIS172 3.6 39.1 1.0 C B:SER197 3.7 41.0 1.0 ND1 B:HIS96 3.7 37.2 1.0 CA B:SER197 3.7 41.0 1.0 SG B:CYS176 3.8 43.9 1.0 CE1 B:HIS96 3.9 42.0 1.0 O B:HOH462 3.9 39.0 1.0 CA B:LEU198 4.0 35.4 1.0 CB B:SER199 4.0 40.4 1.0 SG B:CYS196 4.0 41.3 0.7 CG B:HIS96 4.2 37.1 1.0 C B:LEU198 4.2 38.5 1.0 CB B:CYS196 4.3 41.2 0.3 CA B:SER199 4.3 37.5 1.0 CB B:CYS196 4.3 41.9 0.7 O B:HOH417 4.3 39.0 1.0 OG B:SER197 4.4 48.1 1.0 NE2 B:HIS96 4.4 31.3 1.0 NE2 B:HIS172 4.4 39.6 1.0 C B:CYS196 4.5 41.8 0.7 C B:CYS196 4.5 41.7 0.3 CD2 B:HIS96 4.6 39.3 1.0 O B:SER197 4.6 42.9 1.0 CB B:HIS96 4.7 40.8 1.0 O B:SER199 4.8 40.3 1.0 ND1 B:HIS172 4.8 38.0 1.0 CL B:CL306 4.9 38.5 1.0 CA B:HIS172 4.9 45.5 1.0 CA B:CYS196 4.9 41.1 0.3 CA B:CYS196 5.0 41.0 0.7

Y.Kim, N.Maltseva, M.Endres, A.Joachimiak. Crystal Structure of Metallo-Beta-Lactamase Superfamily Protein From Caulobacter Vibrioides To Be Published.