Manganese in PDB 3ck2: Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4

The structure of Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4, PDB code: 3ck2 was solved by B.Nocek, M.Zhou, J.Abdullah, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.88 / 2.30
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	112.467, 112.467, 112.467, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 20.3

The structure of Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4 (pdb code 3ck2). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4, PDB code: 3ck2:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:18.3 occ:0.80 OD1 A:ASP11 2.1 16.4 1.0 O A:HOH403 2.2 20.4 1.0 O A:HOH386 2.2 18.5 1.0 OD2 A:ASP38 2.2 20.6 1.0 NE2 A:HIS112 2.2 18.6 1.0 NE2 A:HIS13 2.3 18.8 1.0 CE1 A:HIS13 3.1 17.6 1.0 CE1 A:HIS112 3.1 16.9 1.0 CG A:ASP38 3.2 19.5 1.0 CG A:ASP11 3.3 20.1 1.0 CD2 A:HIS112 3.3 15.0 1.0 CD2 A:HIS13 3.5 17.2 1.0 MN A:MN202 3.5 37.1 0.4 CB A:ASP38 3.5 21.7 1.0 CB A:ASP11 3.8 20.1 1.0 O A:HOH418 4.2 30.3 1.0 O A:HIS110 4.3 18.5 1.0 ND1 A:HIS112 4.3 16.8 1.0 ND1 A:HIS13 4.3 14.4 1.0 OD2 A:ASP11 4.3 19.8 1.0 CL A:CL203 4.4 31.8 1.0 OD1 A:ASP38 4.4 15.1 1.0 CG A:HIS112 4.4 16.5 1.0 NE2 A:HIS81 4.4 25.2 1.0 CE1 A:HIS81 4.5 24.1 1.0 CG A:HIS13 4.5 17.7 1.0 CA A:ASP11 4.5 20.7 1.0 CA A:HIS110 4.9 19.0 1.0 C A:HIS110 5.0 18.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:37.1 occ:0.40 OD1 A:ASN57 2.1 22.3 1.0 NE2 A:HIS81 2.2 25.2 1.0 O A:HOH403 2.3 20.4 1.0 ND1 A:HIS110 2.4 18.0 1.0 OD2 A:ASP38 2.5 20.6 1.0 CD2 A:HIS81 3.0 23.7 1.0 CE1 A:HIS81 3.2 24.1 1.0 CE1 A:HIS110 3.2 16.8 1.0 CG A:ASN57 3.3 19.3 1.0 CG A:ASP38 3.3 19.5 1.0 MN A:MN201 3.5 18.3 0.8 CL A:CL203 3.5 31.8 1.0 CG A:HIS110 3.5 18.0 1.0 OD1 A:ASP38 3.6 15.1 1.0 CA A:HIS110 3.7 19.0 1.0 CB A:HIS110 3.9 19.0 1.0 ND2 A:ASN57 4.0 15.3 1.0 OD1 A:ASP11 4.0 16.4 1.0 O A:HIS110 4.1 18.5 1.0 O A:HOH386 4.2 18.5 1.0 N A:ASN57 4.2 19.2 1.0 CG A:HIS81 4.2 23.4 1.0 ND1 A:HIS81 4.3 24.3 1.0 C A:HIS110 4.4 18.9 1.0 NE2 A:HIS110 4.4 17.4 1.0 CB A:ASP38 4.5 21.7 1.0 CB A:ASN57 4.5 19.3 1.0 N A:HIS110 4.6 19.5 1.0 CD2 A:HIS110 4.6 17.1 1.0 CA A:ASN57 4.9 18.8 1.0 N A:MSE58 5.0 17.4 1.0

B.Nocek, M.Zhou, J.Abdullah, A.Joachimiak. Crystal Structure of Conserved Uncharacterized Protein (Predicted Phosphoesterase COG0622) From Streptococcus Pneumoniae TIGR4. To Be Published.