Chlorine in PDB 2yip: Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)

The structure of Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121), PDB code: 2yip 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)	33.89 / 2.14
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.310, 130.000, 158.850, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

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 P212121) (pdb code 2yip). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 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 P212121), PDB code: 2yip:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1136 b:54.4 occ:0.70 O A:HOH2083 3.7 38.8 1.0 N A:GLY116 3.7 38.6 1.0 CA A:PRO115 3.9 40.2 1.0 O A:HOH2084 4.1 44.5 1.0 C A:PRO115 4.3 39.2 1.0 O A:THR114 4.5 32.6 1.0 CA A:GLY116 4.7 41.9 1.0 CB A:PRO115 4.7 41.8 1.0 N A:PRO115 4.9 38.6 1.0

Chlorine binding site 2 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1137 b:48.0 occ:0.70 ND1 A:HIS27 3.2 39.4 1.0 O A:HOH2028 3.3 51.8 1.0 N A:HIS27 3.5 34.5 1.0 CB A:HIS27 3.9 38.6 1.0 CG A:HIS27 4.0 34.2 1.0 CG2 A:VAL26 4.2 39.5 1.0 CA A:HIS27 4.3 35.5 1.0 CE1 A:HIS27 4.3 41.0 1.0 CA A:VAL26 4.3 35.2 1.0 C A:VAL26 4.4 36.1 1.0 O A:HIS27 4.7 34.0 1.0 CB A:VAL26 4.9 36.4 1.0

Chlorine binding site 3 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1138 b:54.1 occ:0.70 N A:HIS12 3.4 38.1 1.0 N A:ASP13 3.7 43.8 1.0 CB A:ALA11 3.7 36.9 1.0 CA A:ALA11 3.8 36.7 1.0 C A:ALA11 4.1 37.9 1.0 CB A:ASP13 4.2 47.6 1.0 OD2 A:ASP13 4.3 60.4 1.0 CA A:HIS12 4.4 38.2 1.0 CG A:ASP13 4.4 52.4 1.0 CA A:ASP13 4.4 45.6 1.0 C A:HIS12 4.5 40.9 1.0 NZ A:LYS14 4.5 66.5 1.0 CG A:LYS14 4.7 48.7 1.0 CB A:HIS12 4.8 37.8 1.0 C A:ASP13 4.9 46.3 1.0 CE A:LYS14 4.9 61.0 1.0

Chlorine binding site 4 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1139 b:41.8 occ:0.70 N A:GLY124 3.5 37.2 1.0 O A:HOH2092 3.6 43.3 1.0 O A:HOH2091 3.9 45.4 1.0 CA A:GLY124 4.0 37.7 1.0 C A:GLN123 4.5 35.8 1.0 CA A:GLN123 4.6 37.3 1.0 O A:GLY124 4.7 37.7 1.0 O A:PHE122 4.9 32.0 1.0 C A:GLY124 4.9 36.8 1.0

Chlorine binding site 5 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1137 b:53.9 occ:0.70 N B:GLY116 3.6 39.8 1.0 O B:HOH2071 3.8 38.9 1.0 O B:HOH2072 3.9 48.1 1.0 CA B:PRO115 3.9 40.5 1.0 C B:PRO115 4.3 38.5 1.0 CA B:GLY116 4.6 40.8 1.0 O B:THR114 4.6 31.5 1.0 CB B:PRO115 4.7 41.5 1.0 N B:PRO115 4.9 38.5 1.0

Chlorine binding site 6 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1138 b:58.4 occ:0.70 N C:THR67 3.5 37.9 1.0 CA C:TYR66 3.8 37.5 1.0 OG1 C:THR67 3.9 43.7 1.0 CB C:THR67 4.0 39.3 1.0 CB C:TYR66 4.0 36.1 1.0 C C:TYR66 4.1 37.7 1.0 CA C:THR67 4.3 38.7 1.0 O C:THR67 5.0 38.2 1.0

Chlorine binding site 7 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1139 b:58.1 occ:0.70 O C:HOH2081 3.5 44.8 1.0 N C:GLY116 3.9 38.5 1.0 CA C:PRO115 4.1 38.5 1.0 O C:HOH2082 4.4 56.7 1.0 C C:PRO115 4.5 38.6 1.0 O C:THR114 4.6 31.8 1.0 CA C:GLY116 4.9 39.8 1.0 CB C:PRO115 4.9 42.1 1.0

Chlorine binding site 8 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1136 b:56.1 occ:0.70 O D:HOH2055 3.5 40.2 1.0 N D:GLY116 3.6 35.4 1.0 CA D:PRO115 4.0 36.9 1.0 O D:HOH2056 4.3 43.7 1.0 C D:PRO115 4.3 35.5 1.0 CA D:GLY116 4.6 37.2 1.0 O D:THR114 4.6 29.4 1.0 CB D:PRO115 4.8 39.4 1.0 O D:HOH2030 5.0 44.7 1.0 N D:PRO115 5.0 34.9 1.0

Chlorine binding site 9 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


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 P212121) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1137 b:61.2 occ:0.70 N D:ALA31 3.7 37.1 1.0 ND1 D:HIS12 3.8 43.9 1.0 OE1 D:GLN32 3.8 51.1 1.0 CB D:ALA31 4.0 35.5 1.0 CE1 D:HIS12 4.1 42.5 1.0 CA D:SER30 4.5 37.8 1.0 CA D:ALA31 4.5 36.1 1.0 CB D:SER30 4.5 36.1 1.0 SD D:MET72 4.6 41.8 1.0 C D:SER30 4.6 37.6 1.0 CE D:MET72 4.8 36.6 1.0 CE2 D:TYR49 4.8 37.7 1.0 CD D:GLN32 4.9 54.7 1.0 CG D:HIS12 5.0 41.3 1.0

Chlorine binding site 10 out of 13 in the Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Parasite Sarcocystis Muris Microneme Protein Sml- 2 in Complex with 1-Thio-Beta-D-Galactose (Spacegroup P212121) within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1137 b:50.6 occ:0.70 ND1 F:HIS27 3.2 41.9 1.0 N F:HIS27 3.7 34.5 1.0 CB F:HIS27 4.0 36.3 1.0 CG F:HIS27 4.0 34.6 1.0 CE1 F:HIS27 4.2 39.7 1.0 CA F:HIS27 4.4 34.0 1.0 CG1 F:VAL26 4.5 42.9 1.0 CA F:VAL26 4.5 36.0 1.0 C F:VAL26 4.5 36.3 1.0 O F:HIS27 5.0 30.6 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