Chlorine in PDB 8gtz: Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions

The structure of Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions, PDB code: 8gtz was solved by Z.Lu, J.Wang, B.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.55 / 1.56
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.74, 47.901, 94.892, 90, 126.53, 90
R / Rfree (%)	17 / 20.4

The structure of Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions (pdb code 8gtz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions, PDB code: 8gtz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions


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 Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:13.7 occ:1.00 O A:HOH1264 3.2 26.9 1.0 O A:HOH1281 3.2 16.1 1.0 N A:GLY161 3.2 14.0 1.0 N A:SER39 3.3 12.5 1.0 N A:ASN38 3.3 12.8 1.0 N A:SER37 3.7 13.6 1.0 CB A:ASN38 3.8 16.5 1.0 CA A:GLY161 3.8 16.7 1.0 CA A:ASN38 3.9 11.9 1.0 CA A:GLY36 3.9 11.1 1.0 CL A:CL603 4.0 24.3 1.0 C A:ASN38 4.0 12.6 1.0 C A:GLY36 4.0 14.0 1.0 O A:SER39 4.1 13.1 1.0 O A:HOH1267 4.1 17.4 1.0 CB A:SER39 4.2 15.5 1.0 CA A:SER39 4.2 12.7 1.0 C A:GLY160 4.2 11.2 1.0 O A:HOH860 4.3 14.5 1.0 C A:SER37 4.3 15.4 1.0 O A:HOH1164 4.3 25.5 1.0 CA A:GLY160 4.3 9.3 1.0 CA A:SER37 4.5 15.9 1.0 C A:SER39 4.6 9.9 1.0 MG A:MG601 4.7 11.6 1.0 CB A:SER37 4.9 23.2 1.0 O A:GLY36 4.9 16.5 1.0 N A:GLY36 4.9 10.7 1.0 O A:HOH1049 4.9 21.1 1.0 C A:GLY161 5.0 12.2 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions


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 Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:24.3 occ:1.00 O A:HOH948 2.8 31.3 1.0 N A:SER37 3.2 13.6 1.0 O A:HOH1267 3.3 17.4 1.0 O A:HOH895 3.3 34.7 1.0 CB A:SER37 3.4 23.2 1.0 N A:GLY162 3.5 12.8 1.0 O A:HOH1200 3.7 34.7 1.0 N A:GLY161 3.9 14.0 1.0 CA A:SER37 3.9 15.9 1.0 CL A:CL602 4.0 13.7 1.0 CA A:GLY36 4.1 11.1 1.0 CA A:GLY162 4.1 15.8 1.0 C A:GLY36 4.2 14.0 1.0 CG2 A:THR106 4.3 20.7 1.0 N A:SER163 4.4 14.8 1.0 C A:GLY161 4.4 12.2 1.0 CA A:GLY161 4.5 16.7 1.0 C A:GLY160 4.6 11.2 1.0 OG A:SER37 4.6 33.4 1.0 CA A:GLY160 4.6 9.3 1.0 OG A:SER163 4.7 22.2 1.0 O A:HOH1097 4.7 15.4 1.0 C A:GLY162 4.8 21.6 1.0 O A:HOH901 4.9 14.2 1.0 C A:SER37 5.0 15.4 1.0 N A:ASN38 5.0 12.8 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions


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 Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:37.5 occ:1.00 O A:HOH1073 2.6 29.9 1.0 O A:HOH1049 2.8 21.1 1.0 O A:HOH1133 3.2 12.3 1.0 NH2 A:ARG311 3.3 9.6 1.0 O A:HOH1072 3.4 20.4 1.0 NH2 A:ARG228 3.5 24.3 1.0 NH1 A:ARG311 3.5 9.4 1.0 CZ A:ARG311 3.9 7.9 1.0 O A:HOH766 4.0 10.8 1.0 N A:GLY225 4.0 15.5 1.0 NH1 A:ARG228 4.0 27.8 1.0 NH2 A:ARG41 4.1 25.4 1.0 NE A:ARG41 4.2 16.8 1.0 CZ A:ARG228 4.2 31.3 1.0 O A:HOH1281 4.4 16.1 1.0 CA A:GLY224 4.4 13.2 1.0 O A:HOH755 4.5 12.2 1.0 C A:GLY224 4.5 12.9 1.0 CZ A:ARG41 4.5 28.7 1.0 O A:HOH939 4.6 11.2 1.0 CA A:GLY225 4.6 16.9 1.0 O A:HOH1264 4.9 26.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions


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 Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:19.1 occ:1.00 NH1 A:ARG491 3.3 17.2 1.0 O A:HOH1070 3.4 17.9 1.0 O A:ARG490 3.5 10.6 1.0 CD A:ARG491 3.6 12.7 1.0 O A:HOH865 3.7 19.9 1.0 C A:ARG490 3.7 10.2 1.0 CB A:SER494 3.8 10.5 1.0 N A:ARG491 3.9 8.6 1.0 CA A:ARG491 3.9 8.2 1.0 CZ A:ARG491 4.1 14.6 1.0 CB A:ARG490 4.2 14.4 1.0 NE A:ARG491 4.2 13.9 1.0 OG A:SER494 4.2 12.9 1.0 CG A:ARG491 4.5 9.6 1.0 CA A:ARG490 4.5 8.6 1.0 O A:HOH881 4.6 31.8 1.0 O A:HOH1148 4.7 35.7 1.0 CB A:ARG491 4.8 9.0 1.0 C A:ARG491 5.0 7.7 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions


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 Exopolyphosphatase (Ppx) Mutant E137A From Zymomonas Mobilis in Complex with Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:30.0 occ:1.00 O A:HOH796 2.8 21.7 1.0 O A:HOH912 3.2 27.2 1.0 N A:HIS246 3.3 11.8 1.0 CB A:HIS246 3.7 8.7 1.0 CB A:LEU245 3.8 24.0 1.0 N A:LEU245 4.0 17.0 1.0 CA A:HIS246 4.0 8.3 1.0 CG1 A:VAL244 4.2 23.1 1.0 C A:LEU245 4.2 16.2 1.0 CA A:LEU245 4.2 21.7 1.0 CB A:ALA307 4.4 10.8 1.0 O A:GLY398 4.5 16.4 1.0 CD1 A:LEU245 4.8 28.9 1.0 NH2 A:ARG408 4.8 29.1 1.0 CG A:LEU245 4.9 34.1 1.0 C A:VAL244 4.9 18.2 1.0 CA A:ARG399 5.0 11.4 1.0

Z.Aili, Z.Lu. Crystal Structure of Exopolyphosphatase (Ppx) From Zymomonas Mobilis in Complex with Magnesium Ions To Be Published.