Manganese in PDB 3ztt: Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese

The structure of Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese, PDB code: 3ztt was solved by C.A.Mcdevitt, A.D.Ogunniyi, E.Valkov, M.C.Lawrence, B.Kobe, A.G.Mcewan, J.C.Paton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.73 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.334, 107.693, 77.942, 90.00, 95.67, 90.00
R / Rfree (%)	21.5 / 24.6

The binding sites of Manganese atom in the Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese (pdb code 3ztt). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese, PDB code: 3ztt:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese


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 Pneumococcal Surface Antigen Psaa with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1000 b:31.0 occ:1.00 OE1 A:GLU205 2.1 34.8 1.0 NE2 A:HIS67 2.1 28.4 1.0 OD2 A:ASP280 2.1 28.1 1.0 NE2 A:HIS139 2.1 25.0 1.0 OE2 A:GLU205 2.4 35.5 1.0 OD1 A:ASP280 2.4 28.6 1.0 CD A:GLU205 2.5 34.2 1.0 CG A:ASP280 2.6 28.4 1.0 CE1 A:HIS139 3.0 25.8 1.0 CE1 A:HIS67 3.0 29.2 1.0 CD2 A:HIS67 3.1 29.7 1.0 CD2 A:HIS139 3.3 24.1 1.0 ND2 A:ASN226 3.8 37.2 1.0 O A:HOH2024 4.0 31.4 1.0 CG A:GLU205 4.0 31.9 1.0 CG A:ASN226 4.1 34.6 1.0 CB A:ASP280 4.1 27.6 1.0 ND1 A:HIS67 4.1 28.9 1.0 ND1 A:HIS139 4.2 26.5 1.0 CG A:HIS67 4.2 31.9 1.0 CG A:HIS139 4.3 27.6 1.0 CB A:ALA207 4.4 31.8 1.0 OD1 A:ASN226 4.4 37.1 1.0 CB A:ASN226 4.6 34.0 1.0 CB A:GLU205 4.8 30.6 1.0 CD1 A:LEU92 4.8 30.7 1.0 N A:ASN226 4.9 33.6 1.0 CA A:ASP280 5.0 28.7 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese


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 Pneumococcal Surface Antigen Psaa with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1000 b:41.6 occ:1.00 NE2 B:HIS139 2.0 25.8 1.0 OD2 B:ASP280 2.1 30.2 1.0 NE2 B:HIS67 2.1 29.1 1.0 OE1 B:GLU205 2.1 35.9 1.0 OD1 B:ASP280 2.2 30.4 1.0 CG B:ASP280 2.4 30.8 1.0 OE2 B:GLU205 2.6 35.9 1.0 CD B:GLU205 2.7 34.8 1.0 CE1 B:HIS139 3.0 26.1 1.0 CE1 B:HIS67 3.1 29.3 1.0 CD2 B:HIS139 3.1 24.8 1.0 CD2 B:HIS67 3.1 30.7 1.0 CB B:ASP280 3.9 30.7 1.0 ND2 B:ASN226 4.0 38.5 1.0 ND1 B:HIS139 4.1 26.6 1.0 ND1 B:HIS67 4.2 29.0 1.0 CG B:HIS139 4.2 28.0 1.0 CG B:GLU205 4.2 31.9 1.0 CG B:HIS67 4.2 32.5 1.0 CG B:ASN226 4.3 35.3 1.0 CB B:ALA207 4.3 32.6 1.0 OD1 B:ASN226 4.6 37.7 1.0 CD1 B:LEU92 4.7 31.7 1.0 CA B:ASP280 4.8 31.9 1.0 CB B:ASN226 4.8 34.4 1.0 CB B:GLU205 4.9 31.1 1.0 N B:ASP280 5.0 31.5 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn1000 b:42.7 occ:1.00 OE1 C:GLU205 1.9 39.6 1.0 NE2 C:HIS139 1.9 29.2 1.0 OE2 C:GLU205 2.1 40.1 1.0 CD C:GLU205 2.3 39.1 1.0 NE2 C:HIS67 2.3 32.5 1.0 OD2 C:ASP280 2.4 32.1 1.0 CE1 C:HIS139 2.6 30.1 1.0 OD1 C:ASP280 2.6 32.3 1.0 CG C:ASP280 2.9 32.2 1.0 CE1 C:HIS67 3.1 33.1 1.0 CD2 C:HIS139 3.1 27.9 1.0 CD2 C:HIS67 3.3 33.5 1.0 CG C:GLU205 3.7 37.0 1.0 ND1 C:HIS139 3.8 30.7 1.0 ND2 C:ASN226 4.0 41.5 1.0 CG C:HIS139 4.1 31.3 1.0 CB C:ALA207 4.1 36.5 1.0 CG C:ASN226 4.2 39.2 1.0 ND1 C:HIS67 4.2 32.6 1.0 O C:HOH2024 4.3 35.8 1.0 CG C:HIS67 4.4 35.4 1.0 CB C:ASP280 4.4 31.4 1.0 OD1 C:ASN226 4.5 42.0 1.0 CB C:GLU205 4.6 36.1 1.0 CB C:ASN226 4.7 38.4 1.0 N C:ASN226 4.7 38.1 1.0 CD1 C:LEU92 5.0 34.0 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Pneumococcal Surface Antigen Psaa with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn1000 b:37.9 occ:1.00 NE2 D:HIS139 2.0 27.4 1.0 OE1 D:GLU205 2.1 35.9 1.0 NE2 D:HIS67 2.2 31.5 1.0 OD2 D:ASP280 2.2 31.0 1.0 OD1 D:ASP280 2.3 31.5 1.0 OE2 D:GLU205 2.5 36.6 1.0 CG D:ASP280 2.6 31.7 1.0 CD D:GLU205 2.6 35.1 1.0 CE1 D:HIS139 2.9 27.4 1.0 CD2 D:HIS139 3.0 26.6 1.0 CE1 D:HIS67 3.1 32.0 1.0 CD2 D:HIS67 3.2 33.2 1.0 ND2 D:ASN226 4.0 39.0 1.0 ND1 D:HIS139 4.0 28.1 1.0 CB D:ASP280 4.1 31.8 1.0 CG D:HIS139 4.1 29.7 1.0 CG D:GLU205 4.1 31.8 1.0 ND1 D:HIS67 4.2 32.0 1.0 CG D:ASN226 4.2 35.7 1.0 CG D:HIS67 4.3 35.3 1.0 CB D:ALA207 4.3 32.3 1.0 O D:HOH2023 4.4 27.0 1.0 OD1 D:ASN226 4.6 37.6 1.0 CD1 D:LEU92 4.7 35.9 1.0 CB D:ASN226 4.7 35.4 1.0 CB D:GLU205 4.9 30.2 1.0 CA D:ASP280 4.9 32.7 1.0

C.A.Mcdevitt, A.D.Ogunniyi, E.Valkov, M.C.Lawrence, B.Kobe, A.G.Mcewan, J.C.Paton. A Molecular Mechanism For Bacterial Susceptibility to Zinc. Plos Pathog. V. 7 02357 2011.
ISSN: ESSN 1553-7374
PubMed: 22072971
DOI: 10.1371/JOURNAL.PPAT.1002357