Magnesium in the structure of Human Mitochondrial Aldehyde Dehydrogenase Complexed With Nadh in the Presence of Low MG2+ (pdb 1nzz)

The binding sites of Magnesium atom in the structure of Human Mitochondrial Aldehyde Dehydrogenase Complexed With Nadh in the Presence of Low MG2+ (pdb code 1nzz). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1nzz structure was solved by S.J.PEREZ-MILLER, T.D.HURLEY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.5 Space group P212121 a (A) 141.307 b (A) 150.897 c (A) 177.031 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.5 Rfree (%) 24.8 Magnesium Binding Sites: Magnesium binding site 1 out of 8 in 1nzz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1nzz. 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: Glu248, A: Ile249, A: Nad1502, A: Hoh1761, A: Hoh1787, conact list: Atom Atom Distance (A) Mg OE1 A:Glu248 4.97 Mg CD1 A:Ile249 4.87 Mg CG1 A:Ile249 4.58 Mg O1N A:Nad1502 2.26 Mg C8A A:Nad1502 4.65 Mg O5B A:Nad1502 4.36 Mg C5D A:Nad1502 4.72 Mg PA A:Nad1502 3.85 Mg N7A A:Nad1502 4.98 Mg O3 A:Nad1502 4.16 Mg O5D A:Nad1502 4.72 Mg O2A A:Nad1502 2.65 Mg O2N A:Nad1502 4.41 Mg PN A:Nad1502 3.66 Mg O A:Hoh1761 4.46 Mg O A:Hoh1787 2.39 interactive model: Magnesium binding site 2 out of 8 in 1nzz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1nzz. 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: Ser246, B: Ile249, B: Nad2502, B: Hoh2632, conact list: Atom Atom Distance (A) Mg OG B:Ser246 4.91 Mg CD1 B:Ile249 4.62 Mg CG1 B:Ile249 4.26 Mg O1N B:Nad2502 2.24 Mg C8A B:Nad2502 4.23 Mg O5B B:Nad2502 4.04 Mg C5D B:Nad2502 4.84 Mg PA B:Nad2502 3.34 Mg N7A B:Nad2502 4.55 Mg O3 B:Nad2502 3.71 Mg O5D B:Nad2502 4.70 Mg O2A B:Nad2502 2.08 Mg O2N B:Nad2502 4.24 Mg PN B:Nad2502 3.48 Mg O1A B:Nad2502 4.47 Mg O B:Hoh2632 2.78 interactive model: Magnesium binding site 3 out of 8 in 1nzz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 1nzz. 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: Ile249, C: Nad3502, C: Hoh3633, conact list: Atom Atom Distance (A) Mg CD1 C:Ile249 4.70 Mg CG1 C:Ile249 4.60 Mg O1N C:Nad3502 2.24 Mg C8A C:Nad3502 4.43 Mg O5B C:Nad3502 4.30 Mg C5D C:Nad3502 4.76 Mg PA C:Nad3502 3.54 Mg N7A C:Nad3502 4.79 Mg O3 C:Nad3502 3.96 Mg O5D C:Nad3502 4.65 Mg O2A C:Nad3502 2.25 Mg O2N C:Nad3502 4.36 Mg PN C:Nad3502 3.57 Mg O1A C:Nad3502 4.58 Mg O C:Hoh3633 2.44 interactive model: Magnesium binding site 4 out of 8 in 1nzz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 1nzz. 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: Ser246, D: Ile249, D: Nad4502, D: Hoh4519, D: Hoh4607, conact list: Atom Atom Distance (A) Mg OG D:Ser246 4.78 Mg CD1 D:Ile249 4.90 Mg CG1 D:Ile249 4.51 Mg O1N D:Nad4502 2.05 Mg C8A D:Nad4502 4.47 Mg O5B D:Nad4502 4.15 Mg C5D D:Nad4502 4.53 Mg PA D:Nad4502 3.38 Mg N7A D:Nad4502 4.87 Mg O3 D:Nad4502 3.66 Mg O5D D:Nad4502 4.38 Mg O2A D:Nad4502 2.23 Mg O2N D:Nad4502 4.29 Mg PN D:Nad4502 3.33 Mg O1A D:Nad4502 4.51 Mg O D:Hoh4519 2.14 Mg O D:Hoh4607 2.26 interactive model: Magnesium binding site 5 out of 8 in 1nzz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Magnesium in the PDB 1nzz. 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: E: Ile249, E: Nad5502, E: Hoh5597, conact list: Atom Atom Distance (A) Mg CD1 E:Ile249 4.89 Mg CG1 E:Ile249 4.58 Mg O1N E:Nad5502 2.07 Mg C8A E:Nad5502 4.39 Mg O5B E:Nad5502 3.98 Mg C5D E:Nad5502 4.54 Mg PA E:Nad5502 3.32 Mg N7A E:Nad5502 4.79 Mg O3 E:Nad5502 3.72 Mg O5D E:Nad5502 4.36 Mg O2A E:Nad5502 2.09 Mg O2N E:Nad5502 4.32 Mg PN E:Nad5502 3.35 Mg O1A E:Nad5502 4.48 Mg O E:Hoh5597 2.28 interactive model: Magnesium binding site 6 out of 8 in 1nzz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Magnesium in the PDB 1nzz. 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: F: Ser246, F: Ile249, F: Nad6502, F: Hoh6524, conact list: Atom Atom Distance (A) Mg OG F:Ser246 4.93 Mg CD1 F:Ile249 4.84 Mg CG1 F:Ile249 4.57 Mg O1N F:Nad6502 2.33 Mg C8A F:Nad6502 4.94 Mg O5B F:Nad6502 4.65 Mg C5D F:Nad6502 4.33 Mg PA F:Nad6502 3.69 Mg O3 F:Nad6502 4.01 Mg O5D F:Nad6502 4.43 Mg O2A F:Nad6502 2.45 Mg O2N F:Nad6502 4.65 Mg PN F:Nad6502 3.63 Mg O1A F:Nad6502 4.55 Mg O F:Hoh6524 2.34 interactive model: Magnesium binding site 7 out of 8 in 1nzz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Magnesium in the PDB 1nzz. 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: G: Ile249, G: Nad7502, G: Hoh7524, conact list: Atom Atom Distance (A) Mg CD1 G:Ile249 4.62 Mg CG1 G:Ile249 4.45 Mg O1N G:Nad7502 2.28 Mg C8A G:Nad7502 4.31 Mg O5B G:Nad7502 4.12 Mg C5D G:Nad7502 4.88 Mg PA G:Nad7502 3.39 Mg N7A G:Nad7502 4.55 Mg O3 G:Nad7502 3.76 Mg O5D G:Nad7502 4.77 Mg O2A G:Nad7502 2.13 Mg O2N G:Nad7502 4.26 Mg PN G:Nad7502 3.52 Mg O1A G:Nad7502 4.49 Mg O G:Hoh7524 2.82 interactive model: Magnesium binding site 8 out of 8 in 1nzz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Magnesium in the PDB 1nzz. 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: H: Ser246, H: Ile249, H: Nad8502, H: Hoh8590, H: Hoh8592, H: Hoh8610, conact list: Atom Atom Distance (A) Mg OG H:Ser246 4.77 Mg CD1 H:Ile249 4.62 Mg CG1 H:Ile249 4.44 Mg O1N H:Nad8502 2.42 Mg C8A H:Nad8502 4.39 Mg O5B H:Nad8502 4.17 Mg C5D H:Nad8502 4.92 Mg PA H:Nad8502 3.65 Mg N7A H:Nad8502 4.62 Mg O3 H:Nad8502 4.07 Mg O5D H:Nad8502 4.86 Mg O2A H:Nad8502 2.43 Mg O2N H:Nad8502 4.39 Mg PN H:Nad8502 3.70 Mg O1A H:Nad8502 4.82 Mg O H:Hoh8590 2.85 Mg O H:Hoh8592 3.74 Mg O H:Hoh8610 2.53 interactive model: