Manganese in PDB 2pok: Crystal Structure of A M20 Family Metallo Peptidase From Streptococcus Pneumoniae

The structure of Crystal Structure of A M20 Family Metallo Peptidase From Streptococcus Pneumoniae, PDB code: 2pok was solved by G.Minasov, L.Shuvalova, J.S.Brunzelle, I.I.Vorontsov, O.Kiryukhina, F.R.Collart, A.Joachimiak, W.F.Anderson, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.954, 101.922, 118.074, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.6

The binding sites of Manganese atom in the Crystal Structure of A M20 Family Metallo Peptidase From Streptococcus Pneumoniae (pdb code 2pok). 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 A M20 Family Metallo Peptidase From Streptococcus Pneumoniae, PDB code: 2pok:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A M20 Family Metallo Peptidase From Streptococcus Pneumoniae


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 A M20 Family Metallo Peptidase From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn460 b:32.1 occ:0.30 OE2 A:GLU184 2.0 45.5 1.0 OD1 A:ASP123 2.3 33.5 1.0 NE2 A:GLN185 2.3 40.1 1.0 O A:HOH609 2.4 38.6 1.0 NE2 A:HIS90 2.6 22.9 1.0 CD A:GLU184 2.8 41.5 1.0 OE1 A:GLU184 3.0 43.9 1.0 CG A:ASP123 3.1 29.1 1.0 CD2 A:HIS90 3.3 21.3 1.0 OD2 A:ASP123 3.4 33.2 1.0 CD A:GLN185 3.5 33.5 1.0 CE1 A:HIS90 3.7 22.6 1.0 OE1 A:GLU157 3.7 32.3 1.0 CD A:GLU157 4.0 33.7 1.0 CG A:GLN185 4.1 31.2 1.0 OE2 A:GLU157 4.2 39.7 1.0 CG A:GLU184 4.2 32.5 1.0 OE2 A:GLU158 4.3 37.3 1.0 CB A:ASP123 4.4 24.3 1.0 CB A:ASP124 4.5 22.0 1.0 OE1 A:GLN185 4.5 38.0 1.0 CG A:HIS90 4.6 20.6 1.0 CG A:ASP124 4.6 20.8 1.0 O A:HOH785 4.7 48.2 1.0 CA A:ASP123 4.7 22.7 1.0 ND1 A:HIS90 4.7 19.4 1.0 CB A:GLU184 4.8 25.5 1.0 OD1 A:ASP124 4.8 18.6 1.0 CB A:GLN185 4.8 26.8 1.0 CG A:GLU157 4.9 25.5 1.0 O A:HOH856 4.9 50.6 0.5

Manganese binding site 2 out of 2 in the Crystal Structure of A M20 Family Metallo Peptidase From Streptococcus Pneumoniae


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 A M20 Family Metallo Peptidase From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn460 b:21.5 occ:0.40 OE1 B:GLU184 1.9 28.1 1.0 O B:HOH573 2.0 31.9 1.0 OD1 B:ASP123 2.1 27.9 1.0 NE2 B:HIS90 2.4 18.9 1.0 OE2 B:GLU184 2.5 36.2 1.0 NE2 B:GLN185 2.5 32.9 1.0 CD B:GLU184 2.5 32.0 1.0 CG B:ASP123 2.9 26.3 1.0 OD2 B:ASP123 3.2 33.6 1.0 CD2 B:HIS90 3.4 15.7 1.0 CD B:GLN185 3.4 30.4 1.0 CE1 B:HIS90 3.5 20.8 1.0 OE1 B:GLU157 3.8 30.6 1.0 CG B:GLU184 4.0 23.9 1.0 CD B:GLU157 4.2 28.2 1.0 CB B:ASP123 4.2 21.6 1.0 OE1 B:GLN185 4.2 38.1 1.0 CG B:GLN185 4.2 28.3 1.0 CB B:ASP124 4.4 18.8 1.0 OE2 B:GLU158 4.4 32.3 1.0 OE2 B:GLU157 4.5 35.2 1.0 CG B:ASP124 4.5 20.7 1.0 CG B:HIS90 4.5 18.5 1.0 ND1 B:HIS90 4.6 16.4 1.0 CA B:ASP123 4.6 20.1 1.0 OD1 B:ASP124 4.6 22.1 1.0 CB B:GLU184 4.8 21.4 1.0 CB B:GLN185 4.8 25.2 1.0 CG B:GLU157 4.9 21.8 1.0

G.Minasov, L.Shuvalova, J.S.Brunzelle, I.I.Vorontsov, O.Kiryukhina, F.R.Collart, A.Joachimiak, W.F.Anderson. Crystal Structure of A M20 Family Metallo Peptidase From Streptococcus Pneumoniae. To Be Published.