Chlorine in PDB 2yio: Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)

The structure of Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221), PDB code: 2yio was solved by J.J.Mueller, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.83 / 2.43
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.730, 81.990, 130.960, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.4

The binding sites of Chlorine atom in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) (pdb code 2yio). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221), PDB code: 2yio:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


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 Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1133 b:63.8 occ:0.80 N A:HIS12 3.6 47.5 1.0 N A:ASP13 3.7 50.2 1.0 CA A:ALA11 3.9 44.9 1.0 CB A:ALA11 4.0 42.0 1.0 CB A:ASP13 4.0 51.8 1.0 NZ A:LYS14 4.1 70.5 1.0 C A:ALA11 4.3 47.3 1.0 OD2 A:ASP13 4.3 63.2 1.0 CA A:ASP13 4.3 51.5 1.0 CG A:ASP13 4.4 58.8 1.0 CA A:HIS12 4.5 46.9 1.0 C A:HIS12 4.6 48.0 1.0 CG A:LYS14 4.6 56.9 1.0 CE A:LYS14 4.6 67.6 1.0 C A:ASP13 4.8 51.0 1.0 CB A:HIS12 4.9 46.2 1.0

Chlorine binding site 2 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


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 Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1134 b:69.3 occ:0.80 N A:ASN81 3.5 45.6 1.0 O A:GLU79 3.9 53.6 1.0 N A:CYS82 4.2 43.5 1.0 CA A:HIS80 4.3 44.5 1.0 CB A:ASN81 4.3 47.0 1.0 C A:HIS80 4.4 44.7 1.0 CA A:ASN81 4.4 46.7 1.0 OD1 A:ASN81 4.5 61.2 1.0 CB A:CYS82 4.7 41.6 1.0 CG A:ASN81 4.7 53.5 1.0 C A:ASN81 4.8 46.5 1.0 C A:GLU79 4.9 49.1 1.0 CA A:CYS82 5.0 42.2 1.0

Chlorine binding site 3 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


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 Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1135 b:70.8 occ:0.80 N A:ASP98 3.6 41.9 1.0 CB A:ASP98 3.9 44.5 1.0 CD1 A:TRP97 4.0 47.0 1.0 CA A:TRP97 4.3 39.6 1.0 CA A:ASP98 4.4 42.5 1.0 C A:TRP97 4.5 39.5 1.0 CB A:TRP97 4.7 39.9 1.0 O A:ASP98 4.8 42.2 1.0 CG A:TRP97 4.8 41.6 1.0

Chlorine binding site 4 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


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 Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1136 b:68.3 occ:0.80 N A:THR67 3.6 48.8 1.0 CA A:TYR66 4.0 45.5 1.0 CB A:TYR66 4.1 46.1 1.0 OG1 A:THR67 4.1 51.5 1.0 CB A:THR67 4.1 51.0 1.0 C A:TYR66 4.3 46.7 1.0 CA A:THR67 4.5 49.0 1.0

Chlorine binding site 5 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


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 Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1137 b:67.0 occ:0.80 N A:GLY116 3.9 45.2 1.0 CA A:PRO115 4.2 46.8 1.0 C A:PRO115 4.6 45.8 1.0 O A:THR114 4.7 42.1 1.0 CA A:GLY116 4.8 44.9 1.0 CB A:PRO115 5.0 47.3 1.0

Chlorine binding site 6 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1133 b:56.5 occ:0.80 N B:HIS12 3.5 46.4 1.0 CA B:ALA11 3.9 43.5 1.0 N B:ASP13 4.0 50.0 1.0 CB B:ALA11 4.1 40.3 1.0 C B:ALA11 4.2 45.6 1.0 OD2 B:ASP13 4.4 64.0 1.0 CA B:HIS12 4.5 46.2 1.0 CB B:ASP13 4.6 51.5 1.0 CG B:ASP13 4.6 55.9 1.0 CB B:HIS12 4.7 45.0 1.0 C B:HIS12 4.7 47.5 1.0 CA B:ASP13 4.8 50.4 1.0 NZ B:LYS14 4.8 67.2 1.0

Chlorine binding site 7 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1134 b:73.1 occ:0.80 N B:THR67 3.7 48.6 1.0 OG1 B:THR67 3.9 53.1 1.0 CA B:TYR66 4.1 45.5 1.0 CB B:TYR66 4.1 45.2 1.0 CB B:THR67 4.3 51.4 1.0 C B:TYR66 4.4 46.2 1.0 CA B:THR67 4.6 50.4 1.0

Chlorine binding site 8 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1135 b:73.0 occ:0.80 NZ A:LYS54 3.5 58.0 1.0 O A:HOH2033 3.9 46.2 1.0 NE1 B:TRP97 3.9 40.7 1.0 CD1 B:TRP97 4.3 41.9 1.0 CE A:LYS54 4.6 55.3 1.0

Chlorine binding site 9 out of 9 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup C2221) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1136 b:65.9 occ:0.80 N B:GLY116 3.6 43.1 1.0 CA B:PRO115 4.0 45.4 1.0 C B:PRO115 4.3 43.4 1.0 CA B:GLY116 4.5 43.2 1.0 O B:THR114 4.6 41.9 1.0 CB B:PRO115 4.8 46.5 1.0 N B:CYS117 4.9 41.9 1.0

J.J.Mueller, M.S.Weiss, U.Heinemann. Pan-Modular Structure of Microneme Protein Sml-2 From Parasite Sarcocystis Muris at 1.95 A Resolution and Its Complex with 1-Thio-Beta-D-Galactose. Acta Crystallogr.,Sect.D V. D67 936 2011.
ISSN: ISSN 0907-4449
PubMed: 22101820
DOI: 10.1107/S0907444911037796