Magnesium in PDB 2p3n: Thermotoga Maritima Impase TM1415

All present enzymatic activity of Thermotoga Maritima Impase TM1415:
3.1.3.25;

The structure of Thermotoga Maritima Impase TM1415, PDB code: 2p3n was solved by K.A.Stieglitz, M.F.Roberts, W.Li, B.Stec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.024, 103.873, 80.512, 90.00, 101.93, 90.00
R / Rfree (%)	20.7 / 27.9

The binding sites of Magnesium atom in the Thermotoga Maritima Impase TM1415 (pdb code 2p3n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Thermotoga Maritima Impase TM1415, PDB code: 2p3n:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Thermotoga Maritima Impase TM1415


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thermotoga Maritima Impase TM1415 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1758 b:32.4 occ:1.00 O A:HOH2191 1.9 21.7 1.0 O A:ILE81 2.1 32.6 1.0 OE1 A:GLU65 2.1 51.7 1.0 O A:HOH2128 2.1 24.5 1.0 OD2 A:ASP79 2.2 24.1 1.0 O A:HOH2189 2.3 31.7 1.0 C A:ILE81 2.9 30.0 1.0 CG A:ASP79 3.1 22.7 1.0 CD A:GLU65 3.3 44.3 1.0 OD1 A:ASP79 3.3 26.1 1.0 O A:HOH2208 3.5 46.1 1.0 N A:ASP82 3.7 31.9 1.0 N A:ILE81 3.7 27.3 1.0 CA A:ASP82 3.7 33.4 1.0 OE2 A:GLU65 3.8 41.7 1.0 CA A:ILE81 3.9 29.7 1.0 OG1 A:THR84 3.9 25.2 1.0 O A:HOH2020 4.2 26.7 1.0 OD1 A:ASP42 4.4 33.2 1.0 CG A:GLU65 4.4 39.9 1.0 O A:HOH2190 4.4 43.1 1.0 CB A:ILE81 4.4 22.8 1.0 OE1 A:GLU66 4.4 68.2 1.0 CB A:ASP79 4.5 27.1 1.0 N A:GLY83 4.6 30.7 1.0 CB A:GLU65 4.7 38.8 1.0 C A:ASP82 4.7 32.8 1.0 CB A:ASP82 4.7 31.4 1.0 CD A:PRO80 4.8 32.5 1.0 CG A:PRO80 4.8 29.4 1.0 C A:ASP79 4.8 37.0 1.0 N A:PRO80 4.8 35.4 1.0 CA A:ASP79 4.8 34.4 1.0 C A:PRO80 5.0 31.0 1.0

Magnesium binding site 2 out of 4 in the Thermotoga Maritima Impase TM1415


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thermotoga Maritima Impase TM1415 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1759 b:40.2 occ:1.00 O B:ILE581 2.1 42.7 1.0 O B:HOH2120 2.1 40.8 1.0 OD1 B:ASP579 2.1 38.8 1.0 OE1 B:GLU565 2.2 56.7 1.0 O B:HOH2188 2.2 31.9 1.0 O B:HOH2176 2.4 59.6 1.0 CG B:ASP579 3.2 38.5 1.0 CD B:GLU565 3.2 55.4 1.0 C B:ILE581 3.2 41.1 1.0 OD2 B:ASP579 3.5 41.7 1.0 OE2 B:GLU565 3.8 62.8 1.0 N B:ILE581 3.9 35.4 1.0 N B:ASP582 4.1 44.9 1.0 CB B:GLU565 4.1 55.8 1.0 CA B:ILE581 4.1 36.3 1.0 CA B:ASP582 4.2 44.9 1.0 CG B:GLU565 4.2 53.6 1.0 OG1 B:THR584 4.2 30.7 1.0 O B:HOH2285 4.2 50.2 1.0 OE2 B:GLU566 4.5 55.0 1.0 O B:HOH2221 4.5 43.3 1.0 CB B:ASP579 4.5 39.5 1.0 CG B:PRO580 4.5 34.5 1.0 CD B:PRO580 4.6 38.0 1.0 OD1 B:ASP542 4.6 46.4 1.0 CB B:ILE581 4.7 32.2 1.0 CA B:ASP579 4.7 42.8 1.0 N B:PRO580 4.8 41.2 1.0 C B:ASP579 4.8 42.4 1.0 CD B:GLU566 4.8 68.0 1.0 OE1 B:GLU566 4.8 73.9 1.0 NE1 B:TRP700 4.9 52.9 1.0 CD1 B:TRP700 4.9 52.9 1.0 O B:HOH2243 4.9 53.5 1.0

Magnesium binding site 3 out of 4 in the Thermotoga Maritima Impase TM1415


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Thermotoga Maritima Impase TM1415 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1761 b:27.9 occ:1.00 O C:HOH2193 1.9 32.7 1.0 O C:HOH2105 2.0 29.9 1.0 OE1 C:GLU1065 2.1 33.1 1.0 OD2 C:ASP1079 2.1 31.6 1.0 O C:ILE1081 2.2 22.1 1.0 O C:HOH2107 2.2 55.3 1.0 CD C:GLU1065 3.1 26.6 1.0 CG C:ASP1079 3.1 23.2 1.0 C C:ILE1081 3.2 24.1 1.0 OE2 C:GLU1065 3.4 30.3 1.0 OD1 C:ASP1079 3.4 20.2 1.0 O C:HOH2006 3.7 27.4 1.0 N C:ASP1082 3.9 22.6 1.0 CA C:ASP1082 3.9 25.7 1.0 N C:ILE1081 4.0 24.5 1.0 OG1 C:THR1084 4.1 29.3 1.0 CA C:ILE1081 4.1 25.5 1.0 OE1 C:GLU1066 4.2 37.2 1.0 O C:HOH2301 4.2 28.1 1.0 O C:HOH2300 4.3 30.0 1.0 OD1 C:ASP1042 4.3 28.0 1.0 CG C:GLU1065 4.4 16.1 1.0 CB C:ASP1079 4.5 23.0 1.0 CB C:ILE1081 4.6 27.9 1.0 N C:GLY1083 4.7 22.8 1.0 CB C:GLU1065 4.7 26.4 1.0 CD C:PRO1080 4.7 31.3 1.0 CA C:ASP1079 4.7 28.8 1.0 CG C:PRO1080 4.8 24.0 1.0 C C:ASP1079 4.8 26.8 1.0 C C:ASP1082 4.9 22.6 1.0 N C:PRO1080 4.9 29.1 1.0

Magnesium binding site 4 out of 4 in the Thermotoga Maritima Impase TM1415


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Thermotoga Maritima Impase TM1415 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1763 b:20.6 occ:1.00 O D:HOH2195 2.1 25.1 1.0 O D:ILE1581 2.1 30.3 1.0 OD2 D:ASP1579 2.1 26.0 1.0 OE1 D:GLU1565 2.1 33.0 1.0 O D:HOH2133 2.2 26.6 1.0 O D:HOH2194 2.2 23.0 1.0 CG D:ASP1579 3.0 28.1 1.0 CD D:GLU1565 3.1 31.9 1.0 C D:ILE1581 3.1 27.3 1.0 OD1 D:ASP1579 3.2 28.3 1.0 OE2 D:GLU1565 3.4 39.7 1.0 CA D:ASP1582 3.8 29.8 1.0 N D:ASP1582 3.9 26.4 1.0 N D:ILE1581 4.0 17.2 1.0 O D:HOH2004 4.0 23.8 1.0 OE2 D:GLU1566 4.1 32.6 1.0 OG1 D:THR1584 4.1 35.8 1.0 O D:HOH2202 4.1 37.6 1.0 CA D:ILE1581 4.1 21.5 1.0 O D:HOH2215 4.2 77.5 1.0 OD1 D:ASP1542 4.4 29.3 1.0 CB D:ASP1579 4.4 25.9 1.0 CD D:PRO1580 4.4 21.8 1.0 CG D:GLU1565 4.5 25.6 1.0 CB D:ILE1581 4.7 22.1 1.0 CB D:ASP1582 4.7 33.2 1.0 CA D:ASP1579 4.8 25.9 1.0 CB D:GLU1565 4.8 32.5 1.0 N D:PRO1580 4.8 27.4 1.0 N D:GLY1583 4.8 25.4 1.0 C D:ASP1579 4.8 26.7 1.0 C D:ASP1582 4.9 30.0 1.0 OD1 D:ASP1582 4.9 44.9 1.0

K.A.Stieglitz, M.F.Roberts, W.Li, B.Stec. Crystal Structure of the Tetrameric Inositol 1-Phosphate Phosphatase (TM1415) From the Hyperthermophile, Thermotoga Maritima. Febs J. V. 274 2461 2007.
ISSN: ISSN 1742-464X
PubMed: 17419729
DOI: 10.1111/J.0014-2956.2007.05779.X