Magnesium in PDB 4n1a: Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide

The structure of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide, PDB code: 4n1a was solved by D.L.Dovala, A.Bendebury, J.S.Cox, R.M.Stroud, O.S.Rosenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.15 / 3.24
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	216.150, 216.150, 186.510, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.6

The binding sites of Magnesium atom in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide (pdb code 4n1a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide, PDB code: 4n1a:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1403 b:43.4 occ:1.00 O2G A:ATP1402 2.1 39.5 1.0 OG A:SER1123 2.1 31.8 1.0 O1B A:ATP1402 2.5 48.5 1.0 PG A:ATP1402 3.4 36.6 1.0 CB A:SER1123 3.4 31.9 1.0 PB A:ATP1402 3.4 39.2 1.0 OD1 A:ASP1214 3.6 37.4 1.0 OD2 A:ASP1214 3.7 39.5 1.0 OD1 A:ASP1213 3.7 55.9 1.0 O2B A:ATP1402 3.8 24.7 1.0 O1G A:ATP1402 3.9 24.3 1.0 O3B A:ATP1402 3.9 53.9 1.0 OD2 A:ASP1213 4.0 28.5 1.0 CG A:ASP1214 4.0 42.2 1.0 N A:SER1123 4.1 48.5 1.0 CG A:ASP1213 4.2 35.4 1.0 CA A:SER1123 4.3 28.8 1.0 CE A:LYS1122 4.6 39.8 1.0 O3G A:ATP1402 4.6 57.6 1.0 OG A:SER1152 4.7 58.0 1.0 NZ A:LYS1122 4.8 47.9 1.0 CB A:LYS1122 4.8 35.7 1.0 O3A A:ATP1402 4.9 31.7 1.0 O2A A:ATP1402 4.9 54.7 1.0

Magnesium binding site 2 out of 8 in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1404 b:45.4 occ:1.00 O2G A:ATP1401 2.0 72.1 1.0 OG A:SER838 2.1 47.9 1.0 O1B A:ATP1401 2.3 50.9 1.0 O A:GLY865 2.7 54.8 1.0 C A:GLY865 3.2 55.4 1.0 PG A:ATP1401 3.4 58.4 1.0 CB A:SER838 3.4 51.0 1.0 CA A:GLY865 3.4 50.4 1.0 PB A:ATP1401 3.5 50.6 1.0 OD1 A:ASP941 3.8 41.2 1.0 O3B A:ATP1401 3.8 62.5 1.0 OD2 A:ASP941 4.1 67.2 1.0 O1G A:ATP1401 4.1 38.1 1.0 N A:GLY866 4.2 58.9 1.0 CG A:ASP941 4.2 62.3 1.0 O2B A:ATP1401 4.2 41.2 1.0 O2A A:ATP1401 4.3 77.1 1.0 N A:SER838 4.3 47.1 1.0 CA A:SER838 4.4 44.9 1.0 O3G A:ATP1401 4.5 59.5 1.0 CA A:GLY866 4.7 62.9 1.0 O3A A:ATP1401 4.8 43.2 1.0 N A:GLY865 4.8 46.6 1.0 CE A:LYS837 5.0 59.7 1.0

Magnesium binding site 3 out of 8 in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1403 b:48.8 occ:1.00 O2G B:ATP1402 1.9 59.3 1.0 OG B:SER1123 2.1 60.9 1.0 O1B B:ATP1402 2.6 58.3 1.0 PG B:ATP1402 3.3 51.3 1.0 CB B:SER1123 3.4 63.9 1.0 OD2 B:ASP1213 3.6 65.2 1.0 OD1 B:ASP1214 3.7 50.1 1.0 OD2 B:ASP1214 3.7 53.2 1.0 PB B:ATP1402 3.7 49.9 1.0 O1G B:ATP1402 3.9 57.5 1.0 O3B B:ATP1402 3.9 79.5 1.0 OG B:SER1152 4.0 54.4 1.0 CG B:ASP1214 4.1 56.2 1.0 OD1 B:ASP1213 4.2 44.5 1.0 CG B:ASP1213 4.3 55.4 1.0 N B:SER1123 4.4 48.7 1.0 O3G B:ATP1402 4.4 58.2 1.0 CA B:SER1123 4.4 49.0 1.0 O2A B:ATP1402 4.5 53.5 1.0 O2B B:ATP1402 4.5 0.1 1.0 CB B:SER1152 4.6 54.4 1.0

Magnesium binding site 4 out of 8 in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1404 b:34.4 occ:1.00 O1B B:ATP1401 2.1 44.8 1.0 O B:GLY865 2.2 49.9 1.0 OG B:SER838 2.2 40.9 1.0 O2G B:ATP1401 2.4 68.5 1.0 O1G B:ATP1401 3.0 48.3 1.0 C B:GLY865 3.1 51.6 1.0 PG B:ATP1401 3.1 50.2 1.0 PB B:ATP1401 3.2 79.6 1.0 CA B:GLY865 3.3 50.7 1.0 CB B:SER838 3.5 46.2 1.0 OD1 B:ASP941 3.6 46.8 1.0 O3B B:ATP1401 3.6 51.0 1.0 O2B B:ATP1401 3.9 39.0 1.0 CE B:LYS837 3.9 78.4 1.0 N B:SER838 4.1 52.5 1.0 CG B:ASP941 4.3 51.5 1.0 N B:GLY866 4.3 55.5 1.0 O2A B:ATP1401 4.3 56.8 1.0 CA B:SER838 4.3 41.5 1.0 OD2 B:ASP941 4.4 46.8 1.0 NZ B:LYS837 4.4 82.2 1.0 O3G B:ATP1401 4.5 56.1 1.0 O3A B:ATP1401 4.6 35.1 1.0 CB B:LYS837 4.6 57.0 1.0 N B:GLY865 4.7 36.6 1.0 CA B:GLY866 4.9 59.7 1.0

Magnesium binding site 5 out of 8 in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1403 b:55.8 occ:1.00 O1B C:ATP1401 2.3 71.0 1.0 OG C:SER838 2.3 63.8 1.0 O C:GLY865 2.4 83.3 1.0 O2G C:ATP1401 2.5 64.5 1.0 OD1 C:ASP941 3.1 72.3 1.0 C C:GLY865 3.3 72.8 1.0 PB C:ATP1401 3.3 68.2 1.0 PG C:ATP1401 3.4 87.0 1.0 O1G C:ATP1401 3.5 73.9 1.0 CA C:GLY865 3.5 75.7 1.0 CB C:SER838 3.7 79.5 1.0 O2B C:ATP1401 3.7 52.8 1.0 O3B C:ATP1401 3.9 79.4 1.0 CG C:ASP941 3.9 76.2 1.0 OD2 C:ASP941 4.0 69.5 1.0 CE C:LYS837 4.0 77.8 1.0 N C:SER838 4.1 66.2 1.0 NZ C:LYS837 4.1 78.1 1.0 CA C:SER838 4.3 64.1 1.0 CB C:LYS837 4.4 56.3 1.0 N C:GLY866 4.5 67.1 1.0 O2A C:ATP1401 4.6 69.5 1.0 O3A C:ATP1401 4.7 67.5 1.0 N C:GLY865 4.8 66.0 1.0 O3G C:ATP1401 4.8 78.2 1.0 C C:LYS837 4.9 63.0 1.0

Magnesium binding site 6 out of 8 in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1404 b:45.0 occ:1.00 OG C:SER1123 2.0 42.6 1.0 O2G C:ATP1402 2.1 67.0 1.0 O1B C:ATP1402 2.7 68.6 1.0 OD1 C:ASP1214 3.0 80.6 1.0 CB C:SER1123 3.4 50.8 1.0 OD1 C:ASP1213 3.5 71.9 1.0 PG C:ATP1402 3.5 70.5 1.0 OD2 C:ASP1213 3.6 65.7 1.0 CG C:ASP1214 3.8 87.5 1.0 CG C:ASP1213 3.9 74.0 1.0 OD2 C:ASP1214 3.9 82.4 1.0 PB C:ATP1402 3.9 74.5 1.0 O3B C:ATP1402 4.1 71.5 1.0 OG C:SER1152 4.1 67.2 1.0 O1G C:ATP1402 4.2 60.0 1.0 N C:SER1123 4.4 62.8 1.0 CA C:SER1123 4.4 60.5 1.0 O2B C:ATP1402 4.6 54.5 1.0 O3G C:ATP1402 4.6 70.9 1.0 O2A C:ATP1402 4.8 67.5 1.0 CB C:SER1152 4.8 63.1 1.0

Magnesium binding site 7 out of 8 in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1401 b:0.2 occ:1.00 OG E:SER1123 2.1 0.5 1.0 OD1 E:ASP1214 3.3 0.5 1.0 OD1 E:ASP1213 3.5 0.2 1.0 CB E:SER1123 3.5 0.5 1.0 OD2 E:ASP1214 3.5 0.4 1.0 CG E:ASP1214 3.8 0.2 1.0 OD2 E:ASP1213 4.0 0.6 1.0 N E:SER1123 4.1 0.2 1.0 CG E:ASP1213 4.1 0.3 1.0 CA E:SER1123 4.3 0.1 1.0 CE E:LYS1122 4.3 0.9 1.0 NZ E:LYS1122 4.4 0.2 1.0 OG E:SER1152 4.6 0.7 1.0 CB E:LYS1122 4.7 0.1 1.0

Magnesium binding site 8 out of 8 in the Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Thermomonospora Curvata Eccc (Atpases 2 and 3) in Complex with A Signal Sequence Peptide within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1402 b:1.0 occ:1.00 OG E:SER838 1.9 0.9 1.0 O E:GLY865 2.7 0.0 1.0 CB E:SER838 3.2 0.4 1.0 C E:GLY865 3.3 0.8 1.0 CA E:GLY865 3.4 0.3 1.0 OD1 E:ASP941 3.6 0.2 1.0 N E:SER838 4.0 0.0 1.0 OD2 E:ASP941 4.0 0.9 1.0 CA E:SER838 4.1 0.7 1.0 CG E:ASP941 4.1 0.2 1.0 N E:GLY866 4.4 0.1 1.0 CE E:LYS837 4.6 0.1 1.0 N E:GLY865 4.8 0.6 1.0 NZ E:LYS837 4.8 0.4 1.0 CB E:LYS837 4.8 0.7 1.0

D.L.Dovala, A.Bendebury, J.S.Cox, R.M.Stroud, O.S.Rosenberg. Thermomonospora Curvata Protein Complex To Be Published.