Chlorine in PDB 3d53: 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii

All present enzymatic activity of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii:
3.6.1.1;

The structure of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii, PDB code: 3d53 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.56 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.970, 115.230, 139.730, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 28

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Chlorine atom in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii (pdb code 3d53). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii, PDB code: 3d53:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:16.2 occ:1.00 ND1 B:HIS136 3.0 8.4 1.0 OG1 A:THR48 3.1 12.7 1.0 N A:THR48 3.2 12.8 1.0 CE B:MET49 3.6 11.7 1.0 CB A:THR47 3.7 12.2 1.0 CA B:PHE137 3.8 10.3 1.0 N B:PHE137 3.8 10.6 1.0 CE1 B:HIS136 3.8 9.1 1.0 CB A:THR48 3.9 12.3 1.0 CG2 A:THR48 3.9 11.3 1.0 CG B:HIS136 4.0 9.8 1.0 CA A:THR47 4.1 12.3 1.0 C B:HIS136 4.1 10.8 1.0 CA A:THR48 4.1 12.2 1.0 CB B:PHE137 4.1 9.8 1.0 C A:THR47 4.1 12.6 1.0 CB B:HIS136 4.2 10.8 1.0 O B:ARG133 4.3 10.7 1.0 O B:HIS136 4.3 11.3 1.0 CG A:MET49 4.4 13.2 1.0 CG B:MET49 4.4 13.0 1.0 CG2 A:THR47 4.5 11.7 1.0 OG1 A:THR47 4.6 12.1 1.0 SD B:MET49 4.6 14.3 1.0 CD1 B:PHE137 4.6 7.7 1.0 N A:MET49 4.6 12.4 1.0 O B:HOH205 4.7 11.8 1.0 C A:THR48 4.7 12.4 1.0 CA B:HIS136 4.8 10.9 1.0 SD A:MET49 4.9 14.3 1.0 CG B:PHE137 4.9 9.6 1.0 NE2 B:HIS136 5.0 8.7 1.0

Chlorine binding site 2 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl174 b:20.1 occ:1.00 NH1 A:ARG43 2.8 31.4 1.0 O A:HOH211 3.0 10.9 1.0 N A:GLN46 3.2 12.4 1.0 O A:HOH237 3.3 25.2 1.0 CA A:MET45 3.8 13.5 1.0 CG A:GLN46 3.9 13.1 1.0 CB A:GLN46 3.9 12.6 1.0 C A:MET45 4.0 12.8 1.0 CZ A:ARG43 4.0 30.7 1.0 CA A:GLN46 4.1 12.5 1.0 CD A:ARG43 4.1 24.2 1.0 CB A:GLU145 4.3 21.9 1.0 CB A:MET45 4.4 13.4 1.0 O A:TYR141 4.5 13.4 1.0 CG A:ARG43 4.5 20.7 1.0 NE A:ARG43 4.5 29.3 1.0 O A:PHE44 4.6 14.1 1.0 N A:GLU145 4.6 20.2 1.0 CB A:LEU144 4.7 18.1 1.0 C A:LEU144 4.7 19.4 1.0 CG A:MET45 4.7 12.8 1.0 N A:THR47 4.8 12.4 1.0 CA A:GLU145 4.8 22.1 1.0 OE1 A:GLU145 4.8 24.5 1.0 O A:HOH244 4.8 10.2 1.0 C A:GLN46 4.9 12.4 1.0 O A:HOH243 4.9 34.5 1.0 N A:MET45 4.9 13.9 1.0 CG A:GLU145 4.9 23.2 1.0 O A:LEU144 4.9 19.8 1.0

Chlorine binding site 3 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl175 b:28.9 occ:1.00 O A:HOH187 2.8 11.7 1.0 NZ A:LYS9 3.0 23.4 1.0 O A:HOH189 3.2 18.2 1.0 CG2 A:ILE15 3.9 15.2 1.0 CE A:LYS9 3.9 24.0 1.0 CD1 A:ILE165 4.0 14.2 1.0 CG2 A:ILE165 4.0 14.0 1.0 CG A:GLU162 4.1 17.7 1.0 CD A:LYS9 4.2 26.2 1.0 CB A:GLU162 4.4 17.0 1.0 CA A:GLU162 4.4 17.2 1.0 CB A:ILE165 4.4 15.1 1.0 O A:ASN12 4.6 27.5 1.0 CG1 A:ILE165 4.8 14.8 1.0 CB A:ALA89 4.8 14.3 1.0 CG A:LYS9 4.9 26.1 1.0 OE2 A:GLU162 4.9 20.5 1.0 CD A:GLU162 5.0 18.4 1.0

Chlorine binding site 4 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl176 b:23.5 occ:1.00 N A:SER111 3.1 15.0 1.0 O A:HOH202 3.2 14.3 1.0 NE A:ARG88 3.5 13.4 1.0 CD A:ARG88 3.5 14.4 1.0 CA A:THR110 3.6 13.4 1.0 CB A:THR110 3.7 13.1 1.0 OG A:SER111 3.8 17.2 1.0 CB A:SER111 3.8 15.6 1.0 C A:THR110 3.9 14.2 1.0 O A:HOH228 4.0 19.6 1.0 CA A:SER111 4.1 15.5 1.0 OD1 A:ASN13 4.2 31.6 1.0 CG2 A:THR110 4.3 12.7 1.0 CG A:ARG88 4.4 15.1 1.0 CZ A:ARG88 4.7 13.3 1.0 N A:THR110 4.9 12.5 1.0 OG1 A:THR110 5.0 13.0 1.0

Chlorine binding site 5 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl173 b:17.2 occ:1.00 ND1 A:HIS136 3.0 10.7 1.0 OG1 B:THR48 3.1 11.8 1.0 N B:THR48 3.3 12.4 1.0 CE A:MET49 3.6 11.8 1.0 CB B:THR47 3.7 12.4 1.0 CE1 A:HIS136 3.8 12.7 1.0 CA A:PHE137 3.8 10.4 1.0 CG2 B:THR48 3.8 11.0 1.0 N A:PHE137 3.8 10.8 1.0 CB B:THR48 3.9 12.4 1.0 CG A:HIS136 4.1 11.2 1.0 CA B:THR47 4.1 12.5 1.0 CA B:THR48 4.1 12.5 1.0 CB A:PHE137 4.2 9.5 1.0 C A:HIS136 4.2 11.1 1.0 C B:THR47 4.2 12.8 1.0 O A:HIS136 4.4 11.1 1.0 CG B:MET49 4.4 13.0 1.0 CB A:HIS136 4.4 11.7 1.0 O A:ARG133 4.4 13.4 1.0 CG2 B:THR47 4.4 11.7 1.0 CG A:MET49 4.5 13.2 1.0 CD1 A:PHE137 4.6 8.3 1.0 SD A:MET49 4.6 14.3 1.0 N B:MET49 4.6 12.8 1.0 O B:HOH205 4.6 11.8 1.0 OG1 B:THR47 4.7 11.3 1.0 C B:THR48 4.7 12.9 1.0 SD B:MET49 4.8 14.3 1.0 CG A:PHE137 4.9 9.8 1.0 CB A:MET49 5.0 13.3 1.0 NE2 A:HIS136 5.0 12.6 1.0 CA A:HIS136 5.0 11.6 1.0

Chlorine binding site 6 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl174 b:21.5 occ:1.00 O B:HOH225 2.9 32.9 1.0 O B:HOH194 3.0 19.8 1.0 N B:SER111 3.2 16.4 1.0 NE B:ARG88 3.5 17.7 1.0 CD B:ARG88 3.5 17.0 1.0 CA B:THR110 3.6 14.5 1.0 CB B:THR110 3.7 14.3 1.0 C B:THR110 3.9 15.4 1.0 CB B:SER111 4.0 16.8 1.0 O B:HOH223 4.0 13.9 1.0 OG B:SER111 4.0 17.7 1.0 CA B:SER111 4.2 16.9 1.0 CG2 B:THR110 4.3 13.4 1.0 CG B:ARG88 4.4 16.5 1.0 O B:HOH224 4.6 22.8 1.0 CZ B:ARG88 4.7 18.1 1.0 N B:THR110 4.9 14.3 1.0 OG1 B:THR110 4.9 14.3 1.0

Chlorine binding site 7 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl175 b:28.5 occ:1.00 O B:HOH198 2.9 15.8 1.0 NZ B:LYS9 2.9 23.1 1.0 O B:HOH199 3.2 13.9 1.0 CD1 B:ILE165 3.9 14.0 1.0 CG2 B:ILE15 3.9 18.4 1.0 CE B:LYS9 4.0 24.4 1.0 CG B:GLU162 4.0 19.1 1.0 O B:HOH210 4.3 24.7 1.0 O B:HOH291 4.3 28.0 1.0 CG2 B:ILE165 4.4 15.5 1.0 CD B:LYS9 4.4 25.9 1.0 CA B:GLU162 4.4 17.7 1.0 CB B:GLU162 4.5 17.2 1.0 CB B:ILE165 4.5 16.0 1.0 O B:ASN12 4.7 28.6 1.0 CB B:ALA89 4.7 15.9 1.0 CG1 B:ILE165 4.8 15.2 1.0 O B:ASN13 4.9 26.5 1.0 O B:GLU162 4.9 17.0 1.0 OE2 B:GLU162 5.0 22.0 1.0 CD B:GLU162 5.0 19.7 1.0

Chlorine binding site 8 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl176 b:22.4 occ:1.00 O B:HOH187 3.0 11.5 1.0 O B:HOH238 3.0 34.9 1.0 NE B:ARG43 3.1 24.4 1.0 NH2 B:ARG43 3.2 25.8 1.0 N B:GLN46 3.3 14.0 1.0 CZ B:ARG43 3.6 25.2 1.0 CA B:MET45 3.8 15.4 1.0 CG B:GLN46 3.9 15.0 1.0 CB B:GLN46 3.9 13.8 1.0 C B:MET45 4.0 14.8 1.0 CB B:GLU145 4.1 21.1 1.0 CA B:GLN46 4.2 13.5 1.0 CD B:ARG43 4.2 20.9 1.0 CB B:MET45 4.4 15.3 1.0 N B:GLU145 4.5 19.8 1.0 O B:TYR141 4.6 13.7 1.0 C B:LEU144 4.6 18.7 1.0 CG B:ARG43 4.6 19.1 1.0 CA B:GLU145 4.6 21.4 1.0 O B:HOH206 4.7 9.7 1.0 OE1 B:GLU145 4.7 25.7 1.0 O B:PHE44 4.7 16.4 1.0 CB B:LEU144 4.7 17.3 1.0 O B:HOH234 4.8 33.0 1.0 CG B:MET45 4.8 15.1 1.0 CG B:GLU145 4.8 21.9 1.0 O B:LEU144 4.9 19.2 1.0 N B:THR47 4.9 12.8 1.0 NH1 B:ARG43 4.9 25.0 1.0 N B:MET45 4.9 15.7 1.0 C B:GLN46 5.0 13.2 1.0

Chlorine binding site 9 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl173 b:19.5 occ:1.00 OG1 C:THR48 3.0 12.0 1.0 ND1 F:HIS136 3.1 11.6 1.0 N C:THR48 3.2 12.3 1.0 CB C:THR47 3.7 12.6 1.0 CE F:MET49 3.8 10.0 0.5 CB C:THR48 3.8 11.8 1.0 CE1 F:HIS136 3.9 10.4 1.0 CG2 C:THR48 3.9 10.6 1.0 CA F:PHE137 3.9 12.3 1.0 N F:PHE137 3.9 12.5 1.0 CA C:THR47 4.0 12.8 1.0 CA C:THR48 4.0 12.3 1.0 C C:THR47 4.1 12.7 1.0 SD F:MET49 4.1 13.4 0.5 CG F:HIS136 4.1 12.4 1.0 CB F:PHE137 4.2 11.9 1.0 C F:HIS136 4.3 12.9 1.0 CG F:MET49 4.3 13.0 0.5 O F:ARG133 4.4 14.9 1.0 CG C:MET49 4.4 12.7 1.0 CB F:HIS136 4.4 13.1 1.0 CG2 C:THR47 4.4 11.1 1.0 O F:HIS136 4.5 12.7 1.0 O F:HOH251 4.5 18.5 1.0 CD1 F:PHE137 4.6 8.6 1.0 N C:MET49 4.7 12.7 1.0 CG F:MET49 4.7 11.3 0.5 C C:THR48 4.7 12.7 1.0 OG1 C:THR47 4.7 12.9 1.0 SD C:MET49 4.9 14.0 1.0 SD F:MET49 4.9 10.7 0.5 CG F:PHE137 4.9 10.7 1.0

Chlorine binding site 10 out of 20 in the 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 2.2 A Crystal Structure of Inorganic Pyrophosphatase From Rickettsia Prowazekii within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl174 b:24.7 occ:1.00 NZ C:LYS112 3.1 25.6 1.0 N C:SER111 3.3 14.9 1.0 NE C:ARG88 3.4 14.4 1.0 CD C:ARG88 3.4 15.6 1.0 O C:HOH240 3.5 28.3 1.0 CA C:THR110 3.7 13.5 1.0 CB C:THR110 3.8 13.7 1.0 OG C:SER111 3.9 16.5 1.0 CE C:LYS112 4.0 26.0 1.0 C C:THR110 4.0 14.1 1.0 CB C:SER111 4.0 16.1 1.0 O C:HOH190 4.0 18.5 1.0 CG2 C:THR110 4.2 13.9 1.0 CA C:SER111 4.2 16.1 1.0 CG C:ARG88 4.3 13.8 1.0 CZ C:ARG88 4.6 11.8 1.0 OD1 C:ASN13 4.6 30.2 1.0 O C:HOH239 4.6 23.6 1.0 CD C:LYS112 4.8 25.2 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), Seattle Structural Genomics Center For Infectious Disease (Ssgcid). N/A N/A.