Magnesium in the structure of Formaldehyde Ferredoxin Oxidoreductase From Pyrococcus Furiosus, Complexed With Glutarate (pdb 1b4n)

The binding sites of Magnesium atom in the structure of Formaldehyde Ferredoxin Oxidoreductase From Pyrococcus Furiosus, Complexed With Glutarate (pdb code 1b4n). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1b4n structure was solved by Y.L.HU, S.FAHAM, R.ROY, M.W.W.ADAMS, D.C.REES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.4 Space group P212121 a (A) 100.400 b (A) 170.500 c (A) 180.700 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.7 Rfree (%) 24.4 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 1b4n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1b4n. 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: Asn92, A: Leu93, A: Ala181, A: Ala182, A: Pte623, A: Hoh640, A: Hoh657, A: Hoh658, A: Hoh659, conact list: Atom Atom Distance (A) Mg O A:Asn92 2.08 Mg N A:Asn92 4.37 Mg CB A:Asn92 4.91 Mg C A:Asn92 3.29 Mg CA A:Asn92 4.39 Mg N A:Leu93 4.06 Mg CB A:Leu93 4.17 Mg CA A:Leu93 3.92 Mg O A:Ala181 2.07 Mg N A:Ala181 4.19 Mg C A:Ala181 3.15 Mg CB A:Ala181 4.66 Mg CA A:Ala181 4.17 Mg N A:Ala182 3.91 Mg CB A:Ala182 4.35 Mg CA A:Ala182 3.88 Mg P2 A:Pte623 3.35 Mg MG1 A:Pte623 0.00 Mg C1 A:Pte623 4.11 Mg O4P A:Pte623 4.22 Mg C2 A:Pte623 4.91 Mg O1P A:Pte623 2.02 Mg O2P A:Pte623 4.59 Mg O8P A:Pte623 4.28 Mg O5P A:Pte623 2.02 Mg P1 A:Pte623 3.34 Mg O7P A:Pte623 3.45 Mg N6 A:Pte623 4.90 Mg O6P A:Pte623 4.56 Mg O2 A:Pte623 4.83 Mg O3P A:Pte623 3.47 Mg C21 A:Pte623 4.20 Mg O A:Hoh640 4.15 Mg O A:Hoh657 4.05 Mg O A:Hoh658 2.11 Mg O A:Hoh659 2.10 interactive model: Magnesium binding site 2 out of 4 in 1b4n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1b4n. 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: Asn92, B: Leu93, B: Ala181, B: Ala182, B: Pte623, B: Hoh624, B: Hoh666, B: Hoh667, conact list: Atom Atom Distance (A) Mg O B:Asn92 2.07 Mg N B:Asn92 4.33 Mg CB B:Asn92 4.82 Mg C B:Asn92 3.27 Mg CA B:Asn92 4.36 Mg N B:Leu93 4.02 Mg CB B:Leu93 4.14 Mg CA B:Leu93 3.83 Mg O B:Ala181 2.10 Mg N B:Ala181 4.41 Mg C B:Ala181 3.30 Mg CB B:Ala181 4.93 Mg CA B:Ala181 4.36 Mg N B:Ala182 4.11 Mg CB B:Ala182 4.47 Mg CA B:Ala182 4.07 Mg P2 B:Pte623 3.23 Mg MG1 B:Pte623 0.00 Mg C1 B:Pte623 4.13 Mg O4P B:Pte623 4.28 Mg C2 B:Pte623 4.92 Mg O1P B:Pte623 2.02 Mg O2P B:Pte623 4.71 Mg O8P B:Pte623 4.10 Mg O5P B:Pte623 2.04 Mg P1 B:Pte623 3.38 Mg O7P B:Pte623 3.32 Mg O6P B:Pte623 4.57 Mg O2 B:Pte623 4.89 Mg O3P B:Pte623 3.55 Mg C3 B:Pte623 4.97 Mg C21 B:Pte623 3.95 Mg O B:Hoh624 4.48 Mg O B:Hoh666 2.13 Mg O B:Hoh667 2.12 interactive model: Magnesium binding site 3 out of 4 in 1b4n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 1b4n. 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: Asn92, C: Leu93, C: Ala181, C: Ala182, C: Pte623, C: Hoh666, C: Hoh669, C: Hoh670, conact list: Atom Atom Distance (A) Mg O C:Asn92 2.07 Mg N C:Asn92 4.33 Mg CB C:Asn92 4.87 Mg C C:Asn92 3.25 Mg CA C:Asn92 4.35 Mg N C:Leu93 3.99 Mg CB C:Leu93 4.12 Mg CA C:Leu93 3.85 Mg O C:Ala181 2.06 Mg N C:Ala181 4.26 Mg C C:Ala181 3.22 Mg CB C:Ala181 4.74 Mg CA C:Ala181 4.23 Mg N C:Ala182 4.03 Mg CB C:Ala182 4.41 Mg CA C:Ala182 3.99 Mg P2 C:Pte623 3.32 Mg MG1 C:Pte623 0.00 Mg C1 C:Pte623 4.02 Mg O4P C:Pte623 4.06 Mg C2 C:Pte623 4.79 Mg O1P C:Pte623 2.02 Mg O2P C:Pte623 4.46 Mg O8P C:Pte623 4.10 Mg O5P C:Pte623 2.03 Mg P1 C:Pte623 3.28 Mg O7P C:Pte623 3.53 Mg N6 C:Pte623 4.93 Mg O6P C:Pte623 4.60 Mg O3P C:Pte623 3.45 Mg C21 C:Pte623 4.15 Mg O C:Hoh666 3.58 Mg O C:Hoh669 2.11 Mg O C:Hoh670 2.12 interactive model: Magnesium binding site 4 out of 4 in 1b4n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 1b4n. 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: Asn92, D: Leu93, D: Ala181, D: Ala182, D: Pte623, D: Hoh642, D: Hoh671, D: Hoh672, conact list: Atom Atom Distance (A) Mg O D:Asn92 2.08 Mg N D:Asn92 4.35 Mg CB D:Asn92 4.85 Mg C D:Asn92 3.25 Mg CA D:Asn92 4.33 Mg N D:Leu93 4.01 Mg CB D:Leu93 4.13 Mg CA D:Leu93 3.94 Mg O D:Ala181 2.10 Mg N D:Ala181 4.35 Mg C D:Ala181 3.22 Mg CB D:Ala181 4.78 Mg CA D:Ala181 4.25 Mg N D:Ala182 3.99 Mg CB D:Ala182 4.28 Mg CA D:Ala182 3.90 Mg P2 D:Pte623 3.28 Mg MG1 D:Pte623 0.00 Mg C1 D:Pte623 4.02 Mg O4P D:Pte623 4.13 Mg C2 D:Pte623 4.77 Mg O1P D:Pte623 2.03 Mg O2P D:Pte623 4.59 Mg O8P D:Pte623 4.12 Mg O5P D:Pte623 2.04 Mg P1 D:Pte623 3.29 Mg O7P D:Pte623 3.35 Mg O6P D:Pte623 4.65 Mg O2 D:Pte623 4.80 Mg O3P D:Pte623 3.47 Mg C21 D:Pte623 4.10 Mg O D:Hoh642 4.28 Mg O D:Hoh671 2.10 Mg O D:Hoh672 2.11 interactive model: