Manganese in PDB 3zt9: The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling

All present enzymatic activity of The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling:
3.1.3.16;

The structure of The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling, PDB code: 3zt9 was solved by M.B.Quin, J.M.Berrisford, J.A.Newman, A.Basle, R.J.Lewis, J.Marles-Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.48 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.000, 46.920, 87.770, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 18.9

The binding sites of Manganese atom in the The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling (pdb code 3zt9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling, PDB code: 3zt9:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1194 b:18.4 occ:1.00 OD1 A:ASP38 2.1 14.2 1.0 O A:GLY39 2.2 16.0 1.0 O A:HOH2034 2.2 18.6 1.0 O A:HOH2044 2.2 19.2 1.0 O A:GLY41 2.2 19.7 1.0 O A:HOH2043 2.3 26.1 1.0 H A:GLY41 3.2 20.8 1.0 CG A:ASP38 3.3 18.2 1.0 C A:GLY39 3.3 14.6 1.0 C A:GLY41 3.4 18.7 1.0 N A:GLY41 3.4 17.4 1.0 HB2 A:ALA46 3.8 25.7 1.0 OD2 A:ASP38 3.8 17.5 1.0 HA A:ILE40 3.8 28.3 1.0 MN A:MN1195 3.8 18.0 1.0 C A:ILE40 3.9 22.8 1.0 O A:HOH2052 3.9 31.0 1.0 CA A:GLY41 4.0 16.7 1.0 N A:GLY39 4.0 15.6 1.0 O A:HOH2042 4.1 26.5 1.0 H A:GLY39 4.1 18.6 1.0 O A:HOH2045 4.1 17.4 1.0 HA A:HIS42 4.1 24.8 0.5 HA A:HIS42 4.2 27.7 0.5 C A:ASP38 4.2 14.8 1.0 CA A:ILE40 4.2 23.7 1.0 OD1 A:ASP21 4.2 15.0 1.0 N A:ILE40 4.2 19.6 1.0 CA A:GLY39 4.2 15.6 1.0 OD2 A:ASP186 4.3 20.0 1.0 O A:HOH2035 4.3 15.2 1.0 HD2 A:HIS42 4.3 27.0 0.5 HA2 A:GLY41 4.4 20.0 1.0 OD1 A:ASP185 4.4 19.3 1.0 HA3 A:GLY20 4.5 17.1 1.0 N A:HIS42 4.5 19.0 1.0 HB3 A:ALA46 4.5 25.7 1.0 CB A:ALA46 4.5 21.5 1.0 O A:GLY20 4.5 19.4 1.0 CB A:ASP38 4.5 16.7 1.0 HA A:ASP38 4.5 14.9 1.0 O A:ASP38 4.6 13.6 1.0 O A:ILE40 4.6 18.3 1.0 HB2 A:ASP186 4.6 20.9 1.0 HA3 A:GLY39 4.6 18.6 1.0 CA A:ASP38 4.7 12.5 1.0 CD2 A:HIS42 4.7 22.6 0.5 CA A:HIS42 4.8 20.8 0.5 HB1 A:ALA46 4.8 25.7 1.0 CA A:HIS42 4.8 23.1 0.5 HA3 A:GLY41 4.8 20.0 1.0 HB3 A:HIS42 4.9 35.2 0.5 C A:GLY20 4.9 15.3 1.0 O A:HOH2047 5.0 48.0 1.0

Manganese binding site 2 out of 3 in the The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1195 b:18.0 occ:1.00 OD1 A:ASP150 2.1 15.9 1.0 OD2 A:ASP185 2.2 18.0 1.0 O A:HOH2035 2.2 15.2 1.0 OD2 A:ASP38 2.2 17.5 1.0 O A:HOH2044 2.2 19.2 1.0 O A:HOH2045 2.2 17.4 1.0 CG A:ASP185 3.1 17.8 1.0 CG A:ASP150 3.1 21.9 1.0 CG A:ASP38 3.2 18.2 1.0 OD1 A:ASP185 3.4 19.3 1.0 OD1 A:ASP38 3.4 14.2 1.0 OD2 A:ASP150 3.5 19.0 1.0 O A:HOH2043 3.8 26.1 1.0 MN A:MN1194 3.8 18.4 1.0 O A:HOH2046 4.0 13.7 1.0 H A:GLY151 4.0 17.6 1.0 H A:ASP150 4.1 15.0 1.0 HB2 A:SER149 4.1 17.2 1.0 O A:HOH2129 4.2 29.0 1.0 O A:HOH2052 4.3 31.0 1.0 N A:GLY151 4.3 14.8 1.0 O A:HOH2026 4.3 40.1 1.0 O A:HOH2034 4.4 18.6 1.0 OD1 A:ASP21 4.4 15.0 1.0 CB A:ASP150 4.5 14.5 1.0 CB A:ASP38 4.5 16.7 1.0 CB A:ASP185 4.5 17.8 1.0 C A:ASP150 4.6 19.1 1.0 N A:ASP150 4.6 12.6 1.0 O A:ASP186 4.6 15.9 1.0 HB2 A:ASP38 4.6 19.9 1.0 HB2 A:ASP186 4.6 20.9 1.0 HB3 A:ASP185 4.6 21.3 1.0 CA A:ASP150 4.8 12.6 1.0 O A:HOH2093 4.8 26.5 1.0 HG A:SER149 4.8 18.1 1.0 H A:ASP186 4.8 18.7 1.0 HA2 A:GLY151 4.9 18.4 1.0 HB3 A:ASP38 4.9 19.9 1.0 HB2 A:ASP185 4.9 21.3 1.0 CB A:SER149 5.0 14.4 1.0

Manganese binding site 3 out of 3 in the The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1196 b:17.6 occ:0.69 OE2 A:GLU141 2.1 23.3 1.0 O A:HOH2125 2.2 19.6 1.0 O A:HOH2006 2.2 28.2 1.0 O A:HOH2002 2.2 26.9 1.0 O A:HOH2151 2.3 34.5 1.0 OXT A:ARG193 2.3 15.4 1.0 CD A:GLU141 3.1 37.6 1.0 C A:ARG193 3.3 20.1 1.0 OE1 A:GLU141 3.5 28.8 1.0 O A:ARG193 3.5 17.9 1.0 H A:GLY142 3.7 17.9 1.0 HA2 A:GLY142 3.8 21.1 1.0 O A:HOH2121 3.9 17.3 1.0 HG3 A:GLU2 4.1 60.1 1.0 OE2 A:GLU2 4.1 32.4 1.0 N A:GLY142 4.3 15.0 1.0 HH A:TYR165 4.3 19.5 1.0 CG A:GLU141 4.4 29.1 1.0 HG3 A:GLU141 4.4 34.9 1.0 HD13 A:LEU4 4.4 24.8 1.0 HG2 A:GLU2 4.4 60.1 1.0 OH A:TYR165 4.4 16.4 1.0 HB2 A:ARG193 4.5 26.8 1.0 CA A:GLY142 4.5 17.7 1.0 HG3 A:ARG193 4.5 24.0 1.0 HE2 A:TYR165 4.5 21.7 1.0 O A:LYS3 4.6 31.1 1.0 CA A:ARG193 4.6 16.2 1.0 CG A:GLU2 4.6 50.2 1.0 HA A:LEU4 4.6 28.4 1.0 H A:GLU5 4.8 20.4 1.0 HG2 A:GLU141 4.8 34.9 1.0 HA A:ARG193 4.8 19.4 1.0 CD A:GLU2 4.8 43.0 1.0 CB A:ARG193 4.9 22.4 1.0

M.B.Quin, J.M.Berrisford, J.A.Newman, A.Basle, R.J.Lewis, J.Marles-Wright. The Bacterial Stressosome: A Modular System That Has Been Adapted to Control Secondary Messenger Signaling. Structure V. 20 350 2012.
ISSN: ISSN 0969-2126
PubMed: 22325782
DOI: 10.1016/J.STR.2012.01.003