Chlorine in PDB 9mjq: Crystal Structure of Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound)

The structure of Crystal Structure of Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound), PDB code: 9mjq was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural 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)	46.41 / 1.20
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	92.821, 92.821, 130.152, 90, 90, 120
R / Rfree (%)	13 / 15.9

The binding sites of Chlorine atom in the Crystal Structure of Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound) (pdb code 9mjq). 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 Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound), PDB code: 9mjq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound)


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 Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:57.9 occ:1.00 O A:HOH403 3.5 26.3 1.0 OG A:SER42 3.8 22.8 1.0 OE1 A:GLN39 3.8 27.6 1.0 N A:SER42 4.1 15.7 1.0 C A:ASN41 4.1 14.6 1.0 N A:ASN41 4.1 16.1 1.0 CA A:ASN41 4.2 15.9 1.0 O A:GLN39 4.2 18.8 1.0 C A:VAL40 4.3 16.0 1.0 CB A:SER42 4.4 21.2 1.0 CG A:GLN39 4.4 19.9 1.0 CD A:GLN39 4.5 24.0 1.0 OG A:SER7 4.5 23.9 1.0 O A:VAL40 4.5 17.1 1.0 C A:GLN39 4.6 16.3 1.0 O A:ASN41 4.6 15.7 1.0 CA A:VAL40 4.8 15.6 1.0 CA A:SER42 4.8 17.3 1.0 N A:VAL40 4.9 14.9 1.0 CB A:GLN39 4.9 17.6 1.0 O A:HOH535 5.0 46.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound)


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 Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:26.1 occ:0.51 CL A:CL303 0.0 26.1 0.5 CL A:CL303 1.4 51.1 0.5 O A:PHE160 3.1 12.8 1.0 O A:HOH505 3.3 16.4 1.0 O A:HOH543 3.8 37.0 1.0 O A:HOH443 4.0 23.7 1.0 N A:SER162 4.3 12.3 1.0 C A:PHE160 4.3 11.4 1.0 O A:HOH578 4.3 17.8 1.0 CB A:SER162 4.4 13.7 1.0 O A:HOH513 4.9 21.1 1.0 O6 A:NOS301 4.9 16.6 1.0 CA A:SER162 5.0 13.1 1.0 CA A:TYR161 5.0 11.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound)


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 Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:51.1 occ:0.49 CL A:CL303 0.0 51.1 0.5 CL A:CL303 1.4 26.1 0.5 O A:PHE160 3.2 12.8 1.0 O A:HOH505 4.0 16.4 1.0 C A:PHE160 4.3 11.4 1.0 CE2 A:PHE160 4.4 12.3 1.0 CD2 A:PHE160 4.6 12.1 1.0 CZ A:PHE160 4.6 12.9 1.0 O A:HOH513 4.7 21.1 1.0 O A:HOH411 4.7 45.1 1.0 O A:HOH543 4.7 37.0 1.0 N A:SER162 4.7 12.3 1.0 CA A:TYR161 4.8 11.8 1.0 O6 A:NOS301 4.9 16.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound)


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 Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:28.0 occ:1.00 O A:HOH506 3.2 20.0 1.0 N A:ASP22 3.3 13.3 1.0 O A:HOH518 3.3 34.2 1.0 CB A:ASP22 3.5 13.9 1.0 N A:GLY21 3.5 14.1 1.0 CB A:CYS20 3.6 15.6 1.0 CA A:ASP22 4.0 13.4 1.0 CB A:ARG25 4.1 16.9 1.0 CA A:GLY21 4.2 14.6 1.0 C A:CYS20 4.2 13.5 1.0 C A:GLY21 4.2 14.1 1.0 CG A:ARG25 4.2 20.8 1.0 SG A:CYS20 4.3 16.4 1.0 CA A:CYS20 4.4 14.0 1.0 O A:HOH416 4.4 47.3 1.0 CE2 A:PHE222 4.5 22.2 0.5 O A:ASP22 4.6 12.9 1.0 CZ A:PHE222 4.6 22.0 0.5 O A:VAL89 4.7 17.4 1.0 C A:ASP22 4.8 13.1 1.0 CG A:ASP22 4.9 14.5 1.0 NE A:ARG25 4.9 29.9 1.0

A.R.Ung, S.Lovell, L.Liu, K.P.Battaile. Crystal Structure of Purine Nucleoside Phosphorylase From Trichomonas Vaginalis (Inosine Bound) To Be Published.