Magnesium in the structure of Thermotoga Maritima Impase TM1415 (pdb 2p3n)

The binding sites of Magnesium atom in the structure of Thermotoga Maritima Impase TM1415 (pdb code 2p3n). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2p3n structure was solved by K.A.STIEGLITZ, M.F.ROBERTS, W.LI, B.STEC, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 42.0-2.2 Space group P1211 a (A) 62.024 b (A) 103.873 c (A) 80.512 alpha (°) 90.00 beta (°) 101.93 gamma (°) 90.00 Rfactor (%) 20.7 Rfree (%) 27.9 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 2p3n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2p3n. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp42, A: Glu65, A: Glu66, A: Asp79, A: Pro80, A: Ile81, A: Asp82, A: Gly83, A: Thr84, A: Hoh2020, A: Hoh2128, A: Hoh2189, A: Hoh2190, A: Hoh2191, A: Hoh2208, conact list: Atom Atom Distance (A) Mg OD1 A:Asp42 4.38 Mg OE1 A:Glu65 2.10 Mg CB A:Glu65 4.73 Mg OE2 A:Glu65 3.83 Mg CD A:Glu65 3.26 Mg CG A:Glu65 4.42 Mg OE1 A:Glu66 4.45 Mg CB A:Asp79 4.49 Mg OD2 A:Asp79 2.17 Mg C A:Asp79 4.83 Mg OD1 A:Asp79 3.29 Mg CG A:Asp79 3.08 Mg CA A:Asp79 4.85 Mg N A:Pro80 4.83 Mg CD A:Pro80 4.79 Mg C A:Pro80 4.96 Mg CG A:Pro80 4.79 Mg O A:Ile81 2.06 Mg N A:Ile81 3.73 Mg CB A:Ile81 4.43 Mg C A:Ile81 2.93 Mg CA A:Ile81 3.86 Mg N A:Asp82 3.66 Mg CB A:Asp82 4.75 Mg C A:Asp82 4.74 Mg CA A:Asp82 3.75 Mg N A:Gly83 4.61 Mg OG1 A:Thr84 3.90 Mg O A:Hoh2020 4.24 Mg O A:Hoh2128 2.11 Mg O A:Hoh2189 2.26 Mg O A:Hoh2190 4.43 Mg O A:Hoh2191 1.94 Mg O A:Hoh2208 3.52 interactive model: Magnesium binding site 2 out of 4 in 2p3n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2p3n. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Asp542, B: Glu565, B: Glu566, B: Asp579, B: Pro580, B: Ile581, B: Asp582, B: Thr584, B: Trp700, B: Hoh2120, B: Hoh2176, B: Hoh2188, B: Hoh2221, B: Hoh2243, B: Hoh2285, conact list: Atom Atom Distance (A) Mg OD1 B:Asp542 4.60 Mg OE1 B:Glu565 2.19 Mg CB B:Glu565 4.09 Mg OE2 B:Glu565 3.84 Mg CD B:Glu565 3.18 Mg CG B:Glu565 4.18 Mg OE1 B:Glu566 4.81 Mg OE2 B:Glu566 4.46 Mg CD B:Glu566 4.79 Mg CB B:Asp579 4.51 Mg OD2 B:Asp579 3.49 Mg C B:Asp579 4.78 Mg OD1 B:Asp579 2.15 Mg CG B:Asp579 3.16 Mg CA B:Asp579 4.74 Mg N B:Pro580 4.77 Mg CD B:Pro580 4.56 Mg CG B:Pro580 4.54 Mg O B:Ile581 2.05 Mg N B:Ile581 3.89 Mg CB B:Ile581 4.69 Mg C B:Ile581 3.19 Mg CA B:Ile581 4.11 Mg N B:Asp582 4.07 Mg CA B:Asp582 4.18 Mg OG1 B:Thr584 4.18 Mg CD1 B:Trp700 4.90 Mg NE1 B:Trp700 4.88 Mg O B:Hoh2120 2.14 Mg O B:Hoh2176 2.36 Mg O B:Hoh2188 2.19 Mg O B:Hoh2221 4.49 Mg O B:Hoh2243 4.91 Mg O B:Hoh2285 4.24 interactive model: Magnesium binding site 3 out of 4 in 2p3n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2p3n. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Asp1042, C: Glu1065, C: Glu1066, C: Asp1079, C: Pro1080, C: Ile1081, C: Asp1082, C: Gly1083, C: Thr1084, C: Hoh2006, C: Hoh2105, C: Hoh2107, C: Hoh2193, C: Hoh2300, C: Hoh2301, conact list: Atom Atom Distance (A) Mg OD1 C:Asp1042 4.35 Mg OE1 C:Glu1065 2.10 Mg CB C:Glu1065 4.68 Mg OE2 C:Glu1065 3.40 Mg CD C:Glu1065 3.07 Mg CG C:Glu1065 4.39 Mg OE1 C:Glu1066 4.16 Mg CB C:Asp1079 4.45 Mg OD2 C:Asp1079 2.10 Mg C C:Asp1079 4.80 Mg OD1 C:Asp1079 3.41 Mg CG C:Asp1079 3.10 Mg CA C:Asp1079 4.74 Mg N C:Pro1080 4.89 Mg CD C:Pro1080 4.73 Mg CG C:Pro1080 4.77 Mg O C:Ile1081 2.17 Mg N C:Ile1081 3.97 Mg CB C:Ile1081 4.64 Mg C C:Ile1081 3.16 Mg CA C:Ile1081 4.12 Mg N C:Asp1082 3.92 Mg C C:Asp1082 4.86 Mg CA C:Asp1082 3.95 Mg N C:Gly1083 4.67 Mg OG1 C:Thr1084 4.07 Mg O C:Hoh2006 3.73 Mg O C:Hoh2105 2.01 Mg O C:Hoh2107 2.20 Mg O C:Hoh2193 1.93 Mg O C:Hoh2300 4.31 Mg O C:Hoh2301 4.20 interactive model: Magnesium binding site 4 out of 4 in 2p3n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 2p3n. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: Asp1542, D: Glu1565, D: Glu1566, D: Asp1579, D: Pro1580, D: Ile1581, D: Asp1582, D: Gly1583, D: Thr1584, D: Hoh2004, D: Hoh2133, D: Hoh2194, D: Hoh2195, D: Hoh2202, D: Hoh2215, conact list: Atom Atom Distance (A) Mg OD1 D:Asp1542 4.41 Mg OE1 D:Glu1565 2.14 Mg CB D:Glu1565 4.78 Mg OE2 D:Glu1565 3.35 Mg CD D:Glu1565 3.08 Mg CG D:Glu1565 4.45 Mg OE2 D:Glu1566 4.08 Mg CB D:Asp1579 4.42 Mg OD2 D:Asp1579 2.12 Mg C D:Asp1579 4.85 Mg OD1 D:Asp1579 3.22 Mg CG D:Asp1579 3.02 Mg CA D:Asp1579 4.78 Mg N D:Pro1580 4.81 Mg CD D:Pro1580 4.43 Mg O D:Ile1581 2.11 Mg N D:Ile1581 3.97 Mg CB D:Ile1581 4.69 Mg C D:Ile1581 3.13 Mg CA D:Ile1581 4.13 Mg N D:Asp1582 3.86 Mg CB D:Asp1582 4.73 Mg C D:Asp1582 4.85 Mg OD1 D:Asp1582 4.90 Mg CA D:Asp1582 3.81 Mg N D:Gly1583 4.82 Mg OG1 D:Thr1584 4.09 Mg O D:Hoh2004 3.99 Mg O D:Hoh2133 2.19 Mg O D:Hoh2194 2.24 Mg O D:Hoh2195 2.07 Mg O D:Hoh2202 4.10 Mg O D:Hoh2215 4.20 interactive model: