Magnesium in PDB 2j86: Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus

The structure of Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus, PDB code: 2j86 was solved by C.Schlicker, N.Kloft, K.Forchhammer, S.Becker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25 / 3.05
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	113.290, 113.290, 88.610, 90.00, 90.00, 90.00
R / Rfree (%)	24.02 / 29.5

The binding sites of Magnesium atom in the Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus (pdb code 2j86). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus, PDB code: 2j86:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1241 b:15.4 occ:1.00 OD2 A:ASP119 1.9 32.6 1.0 CG A:ASP119 3.2 31.6 1.0 CB A:ASP193 3.2 25.0 1.0 OD2 A:ASP193 3.3 27.5 1.0 CG A:ASP193 3.7 25.3 1.0 OE2 A:GLU197 3.9 38.9 1.0 OD1 A:ASP119 4.0 31.6 1.0 CB A:ASP119 4.1 30.4 1.0 CD A:GLU197 4.6 37.2 1.0 O A:HIS161 4.6 47.7 1.0 CA A:ASP193 4.6 27.0 1.0 ND1 A:HIS161 4.6 51.8 1.0 CG A:GLU197 4.8 35.9 1.0 OD1 A:ASP193 4.9 25.1 1.0

Magnesium binding site 2 out of 6 in the Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1242 b:5.0 occ:1.00 OD2 A:ASP34 2.1 28.7 1.0 OD1 A:ASP231 2.3 36.4 1.0 OD2 A:ASP193 2.4 27.5 1.0 OD1 A:ASP193 2.5 25.1 1.0 CG A:ASP34 2.7 26.1 1.0 OD1 A:ASP34 2.7 27.4 1.0 O A:HOH2009 2.8 1.0 1.0 CG A:ASP193 2.8 25.3 1.0 CG A:ASP231 2.9 36.6 1.0 OD2 A:ASP231 2.9 37.3 1.0 MG A:MG1243 3.1 17.4 1.0 O A:HOH2002 3.9 1.7 1.0 CB A:ASP34 4.1 23.4 1.0 CB A:ASP231 4.3 36.7 1.0 CB A:ASP193 4.3 25.0 1.0 OD1 A:ASP18 4.5 32.2 1.0 O A:ASN232 4.7 35.4 1.0 N A:GLY194 4.8 28.1 1.0

Magnesium binding site 3 out of 6 in the Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1243 b:17.4 occ:1.00 O A:HOH2002 2.3 1.7 1.0 OD1 A:ASP34 2.4 27.4 1.0 O A:GLY35 2.4 26.9 1.0 O A:HOH2009 3.0 1.0 1.0 MG A:MG1242 3.1 5.0 1.0 CG A:ASP34 3.4 26.1 1.0 C A:GLY35 3.6 27.6 1.0 OD2 A:ASP34 3.7 28.7 1.0 OD2 A:ASP231 3.9 37.3 1.0 OE1 A:GLN17 3.9 35.1 1.0 NH1 A:ARG13 4.0 62.1 1.0 ND2 A:ASN232 4.2 35.8 1.0 N A:GLY35 4.3 25.0 1.0 N A:MET36 4.5 29.6 1.0 CA A:MET36 4.5 32.4 1.0 CB A:GLN17 4.5 36.7 1.0 OD1 A:ASP231 4.5 36.4 1.0 OD1 A:ASP18 4.5 32.2 1.0 CA A:GLY35 4.6 26.0 1.0 C A:ASP34 4.6 25.6 1.0 CG A:ASP231 4.6 36.6 1.0 CB A:MET36 4.7 31.8 1.0 CZ A:ARG13 4.7 61.7 1.0 CB A:ASP34 4.7 23.4 1.0 CD A:GLN17 4.8 35.7 1.0 O A:ASP34 5.0 27.6 1.0

Magnesium binding site 4 out of 6 in the Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1241 b:15.4 occ:1.00 OD2 B:ASP119 2.1 40.5 1.0 O B:HOH2002 2.7 1.0 1.0 OD1 B:ASP193 3.3 36.0 1.0 CG B:ASP119 3.3 40.6 1.0 CB B:ASP193 3.6 33.0 1.0 CG B:ASP193 3.9 36.5 1.0 ND1 B:HIS161 3.9 34.4 1.0 OD1 B:ASP119 4.0 42.5 1.0 O B:HIS161 4.1 35.8 1.0 CB B:ASP119 4.3 37.9 1.0 CD1 B:LEU163 4.4 43.1 1.0 CB B:HIS161 4.5 34.2 1.0 CG B:HIS161 4.7 34.7 1.0 CA B:HIS161 4.7 35.3 1.0 OE2 B:GLU197 4.8 41.8 1.0 C B:HIS161 4.8 35.9 1.0 CE1 B:HIS161 4.9 34.3 1.0

Magnesium binding site 5 out of 6 in the Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1242 b:23.6 occ:1.00 OD2 B:ASP34 1.8 35.5 1.0 OD1 B:ASP231 2.0 39.4 1.0 OD2 B:ASP193 2.1 39.4 1.0 CG B:ASP34 2.7 34.5 1.0 CG B:ASP231 2.8 39.4 1.0 CG B:ASP193 3.0 36.5 1.0 OD1 B:ASP34 3.0 36.1 1.0 OD2 B:ASP231 3.0 39.7 1.0 OD1 B:ASP193 3.1 36.0 1.0 MG B:MG1243 3.6 6.1 1.0 OD2 B:ASP18 3.7 38.9 1.0 O B:ASN232 3.7 35.5 1.0 CB B:ASP34 4.0 32.0 1.0 CB B:ASP231 4.2 37.7 1.0 N B:GLY194 4.2 27.8 1.0 CB B:ASP193 4.4 33.0 1.0 CG B:ASP18 4.5 37.2 1.0 OD1 B:ASP18 4.5 32.1 1.0 N B:ASN232 4.5 35.4 1.0 CB B:SER192 4.6 32.5 1.0 N B:ASP193 4.6 32.2 1.0 C B:ASN232 4.8 35.0 1.0 OG B:SER192 4.8 35.1 1.0 CA B:GLY194 4.9 28.0 1.0 CA B:ASP193 4.9 30.7 1.0 C B:ASP193 4.9 28.6 1.0 CA B:ASP34 5.0 32.4 1.0 CB B:ASN232 5.0 33.7 1.0

Magnesium binding site 6 out of 6 in the Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structural Analysis of the PP2C Family Phosphatase Tppha of Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1243 b:6.1 occ:1.00 O B:GLY35 2.2 27.5 1.0 OD1 B:ASP34 2.4 36.1 1.0 CG B:ASP34 3.4 34.5 1.0 OE1 B:GLN17 3.4 44.1 1.0 C B:GLY35 3.4 28.8 1.0 MG B:MG1242 3.6 23.6 1.0 N B:GLY35 3.8 30.6 1.0 OD2 B:ASP34 3.9 35.5 1.0 OD2 B:ASP18 3.9 38.9 1.0 CB B:GLN17 3.9 40.7 1.0 CA B:GLY35 4.2 28.6 1.0 C B:ASP34 4.2 32.1 1.0 OD2 B:ASP231 4.3 39.7 1.0 CD B:GLN17 4.4 42.7 1.0 N B:MET36 4.4 30.8 1.0 O B:GLN17 4.4 38.3 1.0 C B:GLN17 4.4 38.5 1.0 ND2 B:ASN232 4.5 34.8 1.0 CA B:ASP34 4.5 32.4 1.0 CB B:ASP34 4.5 32.0 1.0 CA B:GLN17 4.6 39.3 1.0 CA B:MET36 4.7 32.4 1.0 CG B:GLN17 4.7 42.0 1.0 O B:ASP34 4.8 33.6 1.0 N B:ASP18 4.9 37.4 1.0 OD1 B:ASP231 4.9 39.4 1.0 N B:GLN17 4.9 40.1 1.0

C.Schlicker, O.Fokina, N.Kloft, T.Grune, S.Becker, G.M.Sheldrick, K.Forchhammer. Structural Analysis of the PP2C Phosphatase Tppha From Thermosynechococcus Elongatus: A Flexible Flap Subdomain Controls Access to the Catalytic Site. J.Mol.Biol. V. 376 570 2008.
ISSN: ISSN 0022-2836
PubMed: 18164312
DOI: 10.1016/J.JMB.2007.11.097