Chlorine in PDB 6niq: Crystal Structure of the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris

All present enzymatic activity of Crystal Structure of the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris:
3.5.2.6;

The structure of Crystal Structure of the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris, PDB code: 6niq was solved by Y.Kim, C.Tesar, M.Endres, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.12 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.608, 69.711, 112.505, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.6

The binding sites of Chlorine atom in the Crystal Structure of the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris (pdb code 6niq). 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 the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris, PDB code: 6niq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris


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 Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:24.0 occ:1.00 O A:HOH603 3.0 25.1 1.0 OG1 A:THR160 3.1 19.7 1.0 NH2 B:ARG205 3.1 22.0 1.0 N A:GLU159 3.2 15.0 1.0 O B:HOH493 3.4 22.8 1.0 NH1 B:ARG205 3.6 21.2 1.0 N A:THR160 3.7 15.1 1.0 CZ B:ARG205 3.8 20.8 1.0 CA A:ASP158 3.8 14.0 1.0 OD1 A:ASP158 3.9 15.2 1.0 CB A:THR160 3.9 16.8 1.0 O A:GLY157 4.0 18.1 1.0 C A:ASP158 4.0 13.6 1.0 CA A:GLU159 4.0 15.9 1.0 O A:HOH535 4.1 25.2 1.0 CB A:GLU159 4.1 16.7 1.0 C A:GLU159 4.2 16.8 1.0 CB A:ALA186 4.3 15.8 1.0 CA A:THR160 4.5 15.7 1.0 O A:HOH501 4.6 24.2 1.0 CG A:ASP158 4.6 14.6 1.0 CB B:PRO202 4.7 17.5 1.0 O A:HOH427 4.7 18.9 1.0 CB A:ASP158 4.8 14.8 1.0 C A:GLY157 4.8 16.3 1.0 N A:ASP158 4.8 15.0 1.0 CG A:GLU159 4.9 17.1 1.0 NE2 A:GLN189 5.0 22.1 1.0 CA A:ALA186 5.0 15.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris


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 Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:23.8 occ:1.00 O B:HOH623 3.1 37.6 1.0 NE A:ARG87 3.3 20.2 1.0 O A:HOH567 3.4 32.6 1.0 N B:LEU253 3.4 16.5 1.0 O B:GLY229 3.5 20.5 1.0 C B:GLY229 3.5 19.8 1.0 CD1 B:TRP230 3.6 20.1 1.0 CB B:LEU253 3.7 16.2 1.0 CA B:GLY229 3.8 21.7 1.0 CD A:ARG87 3.9 20.1 1.0 N B:TRP230 4.1 18.4 1.0 O B:HOH481 4.1 19.8 1.0 CA B:LEU253 4.2 16.0 1.0 CZ A:ARG87 4.2 17.9 1.0 NE1 B:TRP230 4.2 20.9 1.0 CA B:PRO252 4.2 18.1 1.0 NH2 A:ARG87 4.2 19.0 1.0 C B:PRO252 4.3 16.9 1.0 CA B:TRP230 4.5 18.1 1.0 CB B:PRO252 4.8 18.8 1.0 N B:GLY229 4.8 23.2 1.0 CG B:TRP230 4.8 19.1 1.0 O B:HOH546 4.8 27.9 1.0 O B:HOH529 4.9 29.3 1.0 O A:HOH531 4.9 38.2 1.0 CG B:LEU253 5.0 17.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris


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 Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:34.2 occ:1.00 O B:HOH613 3.1 38.8 1.0 NH1 B:ARG185 3.2 24.6 1.0 NE2 B:GLN189 3.2 25.2 1.0 CG B:ARG185 3.6 19.1 1.0 CD B:ARG185 3.6 20.0 1.0 CB B:MET58 3.8 28.6 1.0 CE B:MET58 3.9 32.2 1.0 CD B:GLN189 4.1 24.0 1.0 CG B:GLN189 4.2 20.8 1.0 CZ B:ARG185 4.2 23.4 1.0 NE B:ARG185 4.4 21.8 1.0 CG B:MET58 4.4 33.8 1.0 O B:HOH412 4.4 41.3 1.0 O B:HOH507 4.7 41.6 1.0 N B:MET58 4.9 26.6 1.0 O B:HOH605 5.0 33.9 1.0 O B:GLY56 5.0 30.1 0.5

Y.Kim, C.Tesar, M.Endres, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Putative Class A Beta-Lactamase Penp From Rhodopseudomonas Palustris To Be Published.