Magnesium in the structure of Catalytic Domain of Human Phosphodiesterase 3B in Complex With Ibmx (pdb 1soj)

The binding sites of Magnesium atom in the structure of Catalytic Domain of Human Phosphodiesterase 3B in Complex With Ibmx (pdb code 1soj). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1soj structure was solved by G.SCAPIN, S.B.PATEL, C.CHUNG, J.P.VARNERIN, S.D.EDMONDSON, A.MASTRACCHIO, E.R.PARMEE, J.W.BECKER, S.B.SINGH, L.H.VAN DERPLOEG, M.R.TOTA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.9 Space group C121 a (A) 275.046 b (A) 147.078 c (A) 253.485 alpha (°) 90.00 beta (°) 109.84 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Magnesium Binding Sites: Magnesium binding site 1 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1soj. 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: His737, A: His741, A: Val745, A: His821, A: Asp822, A: Asp937, A: Mg2124, A: Hoh11, A: Hoh12, A: Hoh14, A: Hoh15, A: Hoh16, A: Hoh1125, conact list: Atom Atom Distance (A) Mg ND1 A:His737 4.53 Mg CE1 A:His737 4.76 Mg NE2 A:His741 1.86 Mg ND1 A:His741 3.95 Mg CD2 A:His741 2.88 Mg CE1 A:His741 2.84 Mg CG A:His741 4.00 Mg CG2 A:Val745 4.05 Mg NE2 A:His821 1.98 Mg ND1 A:His821 4.00 Mg CD2 A:His821 3.03 Mg CE1 A:His821 2.87 Mg CG A:His821 4.10 Mg CB A:Asp822 4.30 Mg OD2 A:Asp822 2.01 Mg OD1 A:Asp822 3.87 Mg CG A:Asp822 3.20 Mg O A:Asp937 4.50 Mg CB A:Asp937 4.26 Mg OD2 A:Asp937 3.35 Mg OD1 A:Asp937 1.91 Mg CG A:Asp937 2.94 Mg CA A:Asp937 4.67 Mg MG A:Mg2124 3.88 Mg O A:Hoh11 1.67 Mg O A:Hoh12 5.00 Mg O A:Hoh14 4.74 Mg O A:Hoh15 4.22 Mg O A:Hoh16 1.72 Mg O A:Hoh1125 3.83 interactive model: Magnesium binding site 2 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1soj. 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: His737, A: His821, A: Asp822, A: His825, A: Glu851, A: His854, A: Thr893, A: Asp937, A: Mg2123, A: Hoh11, A: Hoh12, A: Hoh13, A: Hoh14, A: Hoh15, A: Hoh16, conact list: Atom Atom Distance (A) Mg ND1 A:His737 4.65 Mg CE1 A:His737 4.53 Mg O A:His821 4.21 Mg NE2 A:His821 4.31 Mg CD2 A:His821 3.97 Mg C A:His821 4.93 Mg CB A:Asp822 4.29 Mg OD2 A:Asp822 3.16 Mg OD1 A:Asp822 2.01 Mg CG A:Asp822 2.90 Mg CA A:Asp822 4.66 Mg ND1 A:His825 4.56 Mg CE1 A:His825 4.63 Mg OE2 A:Glu851 4.27 Mg NE2 A:His854 4.45 Mg CD2 A:His854 4.67 Mg O A:Thr893 4.61 Mg CB A:Thr893 4.84 Mg OG1 A:Thr893 4.40 Mg OD2 A:Asp937 4.05 Mg OD1 A:Asp937 4.76 Mg CG A:Asp937 4.83 Mg MG A:Mg2123 3.88 Mg O A:Hoh11 2.41 Mg O A:Hoh12 1.73 Mg O A:Hoh13 2.02 Mg O A:Hoh14 2.16 Mg O A:Hoh15 1.92 Mg O A:Hoh16 3.60 interactive model: Magnesium binding site 3 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 1soj. 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: His737, B: His741, B: Val745, B: His821, B: Asp822, B: Asp937, B: Mg2126, B: Hoh21, B: Hoh24, B: Hoh25, B: Hoh26, B: Hoh1130, conact list: Atom Atom Distance (A) Mg ND1 B:His737 4.51 Mg CE1 B:His737 4.74 Mg NE2 B:His741 2.03 Mg ND1 B:His741 4.14 Mg CD2 B:His741 2.90 Mg CE1 B:His741 3.10 Mg CG B:His741 4.09 Mg CG2 B:Val745 4.28 Mg NE2 B:His821 1.88 Mg ND1 B:His821 4.00 Mg CD2 B:His821 2.80 Mg CE1 B:His821 2.94 Mg CG B:His821 3.97 Mg CB B:Asp822 4.38 Mg OD2 B:Asp822 2.02 Mg OD1 B:Asp822 3.89 Mg CG B:Asp822 3.24 Mg O B:Asp937 4.47 Mg CB B:Asp937 4.27 Mg OD2 B:Asp937 3.31 Mg OD1 B:Asp937 1.90 Mg CG B:Asp937 2.93 Mg CA B:Asp937 4.64 Mg MG B:Mg2126 3.79 Mg O B:Hoh21 2.09 Mg O B:Hoh24 4.48 Mg O B:Hoh25 1.66 Mg O B:Hoh26 4.24 Mg O B:Hoh1130 3.91 interactive model: Magnesium binding site 4 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 1soj. 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: His737, B: His821, B: Asp822, B: His825, B: Glu851, B: His854, B: Thr893, B: Asp937, B: Mg2125, B: Hoh21, B: Hoh22, B: Hoh23, B: Hoh24, B: Hoh25, B: Hoh26, conact list: Atom Atom Distance (A) Mg ND1 B:His737 4.69 Mg CE1 B:His737 4.56 Mg O B:His821 4.32 Mg NE2 B:His821 4.43 Mg CD2 B:His821 3.99 Mg CB B:Asp822 4.57 Mg OD2 B:Asp822 3.25 Mg OD1 B:Asp822 2.31 Mg CG B:Asp822 3.13 Mg CA B:Asp822 4.99 Mg ND1 B:His825 4.62 Mg CE1 B:His825 4.53 Mg OE2 B:Glu851 4.20 Mg NE2 B:His854 4.67 Mg CD2 B:His854 4.89 Mg O B:Thr893 4.63 Mg CB B:Thr893 4.60 Mg OG1 B:Thr893 4.17 Mg OD2 B:Asp937 3.92 Mg OD1 B:Asp937 4.70 Mg CG B:Asp937 4.74 Mg MG B:Mg2125 3.79 Mg O B:Hoh21 1.91 Mg O B:Hoh22 1.79 Mg O B:Hoh23 2.31 Mg O B:Hoh24 2.08 Mg O B:Hoh25 3.44 Mg O B:Hoh26 1.91 interactive model: Magnesium binding site 5 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Magnesium in the PDB 1soj. 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: His737, C: His741, C: Val745, C: His821, C: Asp822, C: Asp937, C: Mg2128, C: Hoh31, C: Hoh32, C: Hoh34, C: Hoh35, C: Hoh36, C: Hoh1225, conact list: Atom Atom Distance (A) Mg ND1 C:His737 4.27 Mg CE1 C:His737 4.50 Mg NE2 C:His741 1.79 Mg ND1 C:His741 3.90 Mg CD2 C:His741 2.76 Mg CE1 C:His741 2.82 Mg CG C:His741 3.91 Mg CG2 C:Val745 4.22 Mg NE2 C:His821 2.18 Mg ND1 C:His821 4.18 Mg CD2 C:His821 3.19 Mg CE1 C:His821 3.06 Mg CG C:His821 4.27 Mg CB C:Asp822 4.20 Mg OD2 C:Asp822 1.85 Mg OD1 C:Asp822 3.72 Mg CG C:Asp822 3.05 Mg O C:Asp937 4.54 Mg CB C:Asp937 4.46 Mg OD2 C:Asp937 3.45 Mg OD1 C:Asp937 2.10 Mg CG C:Asp937 3.11 Mg CA C:Asp937 4.86 Mg MG C:Mg2128 3.98 Mg O C:Hoh31 1.60 Mg O C:Hoh32 4.94 Mg O C:Hoh34 4.65 Mg O C:Hoh35 4.17 Mg O C:Hoh36 1.67 Mg O C:Hoh1225 3.70 interactive model: Magnesium binding site 6 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Magnesium in the PDB 1soj. 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: His737, C: His821, C: Asp822, C: His825, C: Glu851, C: His854, C: Thr893, C: Asp937, C: Mg2127, C: Hoh31, C: Hoh32, C: Hoh33, C: Hoh34, C: Hoh35, C: Hoh36, conact list: Atom Atom Distance (A) Mg ND1 C:His737 4.67 Mg CE1 C:His737 4.58 Mg O C:His821 4.17 Mg NE2 C:His821 4.49 Mg CD2 C:His821 4.11 Mg C C:His821 4.90 Mg CB C:Asp822 4.26 Mg OD2 C:Asp822 3.26 Mg OD1 C:Asp822 1.92 Mg CG C:Asp822 2.91 Mg CA C:Asp822 4.58 Mg ND1 C:His825 4.37 Mg CE1 C:His825 4.45 Mg OE2 C:Glu851 4.14 Mg NE2 C:His854 4.22 Mg CD2 C:His854 4.48 Mg O C:Thr893 4.70 Mg CB C:Thr893 4.97 Mg OG1 C:Thr893 4.50 Mg OD2 C:Asp937 4.30 Mg MG C:Mg2127 3.98 Mg O C:Hoh31 2.75 Mg O C:Hoh32 1.80 Mg O C:Hoh33 1.98 Mg O C:Hoh34 2.05 Mg O C:Hoh35 2.12 Mg O C:Hoh36 3.65 interactive model: Magnesium binding site 7 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Magnesium in the PDB 1soj. 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: His737, D: His741, D: Val745, D: His821, D: Asp822, D: Asp937, D: Mg2130, D: Hoh41, D: Hoh44, D: Hoh45, D: Hoh46, D: Hoh1230, conact list: Atom Atom Distance (A) Mg ND1 D:His737 4.38 Mg CE1 D:His737 4.62 Mg NE2 D:His741 2.01 Mg ND1 D:His741 4.15 Mg CD2 D:His741 2.85 Mg CE1 D:His741 3.12 Mg CG D:His741 4.06 Mg CG2 D:Val745 4.40 Mg NE2 D:His821 1.93 Mg ND1 D:His821 4.02 Mg CD2 D:His821 2.84 Mg CE1 D:His821 2.97 Mg CG D:His821 3.99 Mg CB D:Asp822 4.27 Mg OD2 D:Asp822 1.91 Mg OD1 D:Asp822 3.76 Mg CG D:Asp822 3.11 Mg O D:Asp937 4.58 Mg CB D:Asp937 4.39 Mg OD2 D:Asp937 3.38 Mg OD1 D:Asp937 2.02 Mg CG D:Asp937 3.03 Mg CA D:Asp937 4.77 Mg MG D:Mg2130 3.88 Mg O D:Hoh41 1.67 Mg O D:Hoh44 4.81 Mg O D:Hoh45 1.68 Mg O D:Hoh46 4.17 Mg O D:Hoh1230 4.19 interactive model: Magnesium binding site 8 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Magnesium in the PDB 1soj. 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: His737, D: His821, D: Asp822, D: His825, D: Glu851, D: His854, D: Thr893, D: Asp937, D: Mg2129, D: Hoh41, D: Hoh42, D: Hoh43, D: Hoh44, D: Hoh45, D: Hoh46, conact list: Atom Atom Distance (A) Mg ND1 D:His737 4.83 Mg CE1 D:His737 4.74 Mg O D:His821 4.08 Mg NE2 D:His821 4.50 Mg CD2 D:His821 4.00 Mg C D:His821 4.91 Mg CB D:Asp822 4.50 Mg OD2 D:Asp822 3.34 Mg OD1 D:Asp822 2.21 Mg CG D:Asp822 3.11 Mg CA D:Asp822 4.84 Mg ND1 D:His825 4.57 Mg CE1 D:His825 4.50 Mg OE2 D:Glu851 4.08 Mg CD D:Glu851 4.99 Mg NE2 D:His854 4.41 Mg CD2 D:His854 4.62 Mg O D:Thr893 4.73 Mg CB D:Thr893 4.58 Mg OG1 D:Thr893 4.10 Mg OD2 D:Asp937 4.09 Mg OD1 D:Asp937 4.86 Mg CG D:Asp937 4.91 Mg MG D:Mg2129 3.88 Mg O D:Hoh41 2.39 Mg O D:Hoh42 1.80 Mg O D:Hoh43 2.22 Mg O D:Hoh44 2.18 Mg O D:Hoh45 3.90 Mg O D:Hoh46 2.10 interactive model: Magnesium binding site 9 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Magnesium in the PDB 1soj. 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: His737, E: His741, E: Val745, E: His821, E: Asp822, E: Asp937, E: Mg2132, E: Hoh51, E: Hoh54, E: Hoh55, E: Hoh56, E: Hoh1325, conact list: Atom Atom Distance (A) Mg ND1 E:His737 4.18 Mg CE1 E:His737 4.44 Mg NE2 E:His741 1.79 Mg ND1 E:His741 3.92 Mg CD2 E:His741 2.72 Mg CE1 E:His741 2.85 Mg CG E:His741 3.88 Mg CG2 E:Val745 4.29 Mg NE2 E:His821 2.21 Mg ND1 E:His821 4.19 Mg CD2 E:His821 3.21 Mg CE1 E:His821 3.08 Mg CG E:His821 4.28 Mg CB E:Asp822 4.12 Mg OD2 E:Asp822 1.77 Mg OD1 E:Asp822 3.66 Mg CG E:Asp822 2.98 Mg O E:Asp937 4.65 Mg CB E:Asp937 4.54 Mg OD2 E:Asp937 3.48 Mg OD1 E:Asp937 2.18 Mg CG E:Asp937 3.18 Mg CA E:Asp937 4.95 Mg MG E:Mg2132 3.78 Mg O E:Hoh51 1.67 Mg O E:Hoh54 4.65 Mg O E:Hoh55 4.33 Mg O E:Hoh56 1.90 Mg O E:Hoh1325 3.86 interactive model: Magnesium binding site 10 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Magnesium in the PDB 1soj. 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: His737, E: His821, E: Asp822, E: His825, E: Glu851, E: His854, E: Thr893, E: Asp937, E: Mg2131, E: Hoh51, E: Hoh52, E: Hoh53, E: Hoh54, E: Hoh55, E: Hoh56, conact list: Atom Atom Distance (A) Mg ND1 E:His737 4.72 Mg CE1 E:His737 4.54 Mg O E:His821 4.43 Mg NE2 E:His821 4.36 Mg CD2 E:His821 4.02 Mg CB E:Asp822 4.52 Mg OD2 E:Asp822 3.29 Mg OD1 E:Asp822 2.24 Mg CG E:Asp822 3.10 Mg CA E:Asp822 4.90 Mg ND1 E:His825 4.71 Mg CE1 E:His825 4.73 Mg OE2 E:Glu851 4.21 Mg NE2 E:His854 4.67 Mg CD2 E:His854 4.88 Mg O E:Thr893 4.41 Mg CB E:Thr893 4.72 Mg OG1 E:Thr893 4.36 Mg OD2 E:Asp937 3.84 Mg OD1 E:Asp937 4.70 Mg CG E:Asp937 4.71 Mg MG E:Mg2131 3.78 Mg O E:Hoh51 2.34 Mg O E:Hoh52 1.85 Mg O E:Hoh53 2.36 Mg O E:Hoh54 2.02 Mg O E:Hoh55 2.09 Mg O E:Hoh56 3.48 interactive model: Magnesium binding site 11 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 11 of Magnesium in the PDB 1soj. 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: His737, F: His741, F: Val745, F: His821, F: Asp822, F: Asp937, F: Mg2134, F: Hoh61, F: Hoh64, F: Hoh65, F: Hoh66, F: Hoh1330, conact list: Atom Atom Distance (A) Mg ND1 F:His737 4.30 Mg CE1 F:His737 4.57 Mg NE2 F:His741 1.87 Mg ND1 F:His741 4.01 Mg CD2 F:His741 2.70 Mg CE1 F:His741 3.00 Mg CG F:His741 3.91 Mg CG2 F:Val745 4.37 Mg NE2 F:His821 1.99 Mg ND1 F:His821 4.05 Mg CD2 F:His821 2.94 Mg CE1 F:His821 2.97 Mg CG F:His821 4.07 Mg CB F:Asp822 4.24 Mg OD2 F:Asp822 1.87 Mg OD1 F:Asp822 3.78 Mg CG F:Asp822 3.11 Mg O F:Asp937 4.59 Mg CB F:Asp937 4.49 Mg OD2 F:Asp937 3.52 Mg OD1 F:Asp937 2.10 Mg CG F:Asp937 3.15 Mg CA F:Asp937 4.83 Mg MG F:Mg2134 3.79 Mg O F:Hoh61 1.83 Mg O F:Hoh64 4.64 Mg O F:Hoh65 1.72 Mg O F:Hoh66 4.70 Mg O F:Hoh1330 4.03 interactive model: Magnesium binding site 12 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 12 of Magnesium in the PDB 1soj. 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: His737, F: His821, F: Asp822, F: His825, F: Glu851, F: His854, F: Thr893, F: Asp937, F: Mg2133, F: Hoh61, F: Hoh62, F: Hoh63, F: Hoh64, F: Hoh65, F: Hoh66, conact list: Atom Atom Distance (A) Mg ND1 F:His737 4.74 Mg CE1 F:His737 4.61 Mg O F:His821 4.30 Mg NE2 F:His821 4.39 Mg CD2 F:His821 3.94 Mg CB F:Asp822 4.57 Mg OD2 F:Asp822 3.25 Mg OD1 F:Asp822 2.31 Mg CG F:Asp822 3.13 Mg ND1 F:His825 4.70 Mg CE1 F:His825 4.60 Mg OE2 F:Glu851 4.21 Mg NE2 F:His854 4.70 Mg CD2 F:His854 4.92 Mg O F:Thr893 4.63 Mg CB F:Thr893 4.53 Mg OG1 F:Thr893 4.11 Mg OD2 F:Asp937 3.85 Mg OD1 F:Asp937 4.63 Mg CG F:Asp937 4.67 Mg MG F:Mg2133 3.79 Mg O F:Hoh61 2.17 Mg O F:Hoh62 1.99 Mg O F:Hoh63 2.39 Mg O F:Hoh64 1.97 Mg O F:Hoh65 3.55 Mg O F:Hoh66 2.22 interactive model: Magnesium binding site 13 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 13 of Magnesium in the PDB 1soj. 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: His737, G: His741, G: Val745, G: His821, G: Asp822, G: Asp937, G: Mg2136, G: Hoh71, G: Hoh72, G: Hoh74, G: Hoh75, G: Hoh76, G: Hoh1425, conact list: Atom Atom Distance (A) Mg ND1 G:His737 4.32 Mg CE1 G:His737 4.55 Mg NE2 G:His741 1.95 Mg ND1 G:His741 4.06 Mg CD2 G:His741 2.89 Mg CE1 G:His741 2.98 Mg CG G:His741 4.05 Mg CG2 G:Val745 4.29 Mg NE2 G:His821 2.05 Mg ND1 G:His821 4.07 Mg CD2 G:His821 3.04 Mg CE1 G:His821 2.97 Mg CG G:His821 4.14 Mg CB G:Asp822 4.12 Mg OD2 G:Asp822 1.77 Mg OD1 G:Asp822 3.62 Mg CG G:Asp822 2.97 Mg O G:Asp937 4.65 Mg CB G:Asp937 4.42 Mg OD2 G:Asp937 3.38 Mg OD1 G:Asp937 2.09 Mg CG G:Asp937 3.06 Mg CA G:Asp937 4.87 Mg MG G:Mg2136 3.80 Mg O G:Hoh71 1.78 Mg O G:Hoh72 4.94 Mg O G:Hoh74 4.59 Mg O G:Hoh75 3.85 Mg O G:Hoh76 1.67 Mg O G:Hoh1425 4.03 interactive model: Magnesium binding site 14 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 14 of Magnesium in the PDB 1soj. 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: His737, G: His821, G: Asp822, G: His825, G: Glu851, G: His854, G: Thr893, G: Asp937, G: Mg2135, G: Hoh71, G: Hoh72, G: Hoh73, G: Hoh74, G: Hoh75, G: Hoh76, conact list: Atom Atom Distance (A) Mg ND1 G:His737 4.64 Mg CE1 G:His737 4.54 Mg O G:His821 4.10 Mg NE2 G:His821 4.39 Mg CD2 G:His821 4.04 Mg C G:His821 4.83 Mg CB G:Asp822 4.14 Mg OD2 G:Asp822 3.15 Mg OD1 G:Asp822 1.82 Mg CG G:Asp822 2.79 Mg CA G:Asp822 4.48 Mg ND1 G:His825 4.36 Mg CE1 G:His825 4.46 Mg OE2 G:Glu851 4.24 Mg NE2 G:His854 4.22 Mg CD2 G:His854 4.47 Mg O G:Thr893 4.80 Mg CB G:Thr893 4.99 Mg OG1 G:Thr893 4.51 Mg OD2 G:Asp937 4.30 Mg OD1 G:Asp937 4.99 Mg MG G:Mg2135 3.80 Mg O G:Hoh71 2.48 Mg O G:Hoh72 1.96 Mg O G:Hoh73 2.07 Mg O G:Hoh74 2.19 Mg O G:Hoh75 1.83 Mg O G:Hoh76 3.67 interactive model: Magnesium binding site 15 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 15 of Magnesium in the PDB 1soj. 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: His737, H: His741, H: Val745, H: His821, H: Asp822, H: Asp937, H: Mg2138, H: Hoh81, H: Hoh84, H: Hoh85, H: Hoh86, H: Hoh1430, conact list: Atom Atom Distance (A) Mg ND1 H:His737 4.26 Mg CE1 H:His737 4.46 Mg NE2 H:His741 1.96 Mg ND1 H:His741 4.10 Mg CD2 H:His741 2.84 Mg CE1 H:His741 3.05 Mg CG H:His741 4.04 Mg CG2 H:Val745 4.48 Mg NE2 H:His821 2.17 Mg ND1 H:His821 4.27 Mg CD2 H:His821 3.04 Mg CE1 H:His821 3.22 Mg CG H:His821 4.22 Mg CB H:Asp822 4.39 Mg OD2 H:Asp822 2.01 Mg OD1 H:Asp822 3.81 Mg CG H:Asp822 3.21 Mg O H:Asp937 4.45 Mg CB H:Asp937 4.37 Mg OD2 H:Asp937 3.31 Mg OD1 H:Asp937 1.99 Mg CG H:Asp937 2.99 Mg CA H:Asp937 4.75 Mg MG H:Mg2138 3.94 Mg O H:Hoh81 1.79 Mg O H:Hoh84 4.38 Mg O H:Hoh85 1.77 Mg O H:Hoh86 3.92 Mg O H:Hoh1430 3.80 interactive model: Magnesium binding site 16 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 16 of Magnesium in the PDB 1soj. 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: His737, H: His821, H: Asp822, H: His825, H: Glu851, H: His854, H: Thr893, H: Asp937, H: Mg2137, H: Hoh81, H: Hoh82, H: Hoh83, H: Hoh84, H: Hoh85, H: Hoh86, conact list: Atom Atom Distance (A) Mg ND1 H:His737 4.92 Mg CE1 H:His737 4.81 Mg O H:His821 4.14 Mg NE2 H:His821 4.59 Mg CD2 H:His821 4.05 Mg C H:His821 4.98 Mg CB H:Asp822 4.60 Mg OD2 H:Asp822 3.42 Mg OD1 H:Asp822 2.31 Mg CG H:Asp822 3.21 Mg CA H:Asp822 4.93 Mg ND1 H:His825 4.63 Mg CE1 H:His825 4.55 Mg OE2 H:Glu851 4.00 Mg CD H:Glu851 4.89 Mg CG H:Glu851 4.91 Mg NE2 H:His854 4.45 Mg CD2 H:His854 4.63 Mg O H:Thr893 4.65 Mg CB H:Thr893 4.52 Mg OG1 H:Thr893 4.01 Mg OD2 H:Asp937 4.07 Mg OD1 H:Asp937 4.90 Mg CG H:Asp937 4.92 Mg MG H:Mg2137 3.94 Mg O H:Hoh81 2.37 Mg O H:Hoh82 2.08 Mg O H:Hoh83 2.21 Mg O H:Hoh84 1.94 Mg O H:Hoh85 3.83 Mg O H:Hoh86 2.07 interactive model: Magnesium binding site 17 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 17 of Magnesium in the PDB 1soj. 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: I: His737, I: His741, I: Val745, I: His821, I: Asp822, I: Asp937, I: Mg2140, I: Hoh91, I: Hoh92, I: Hoh94, I: Hoh95, I: Hoh96, I: Hoh1525, conact list: Atom Atom Distance (A) Mg ND1 I:His737 4.51 Mg CE1 I:His737 4.76 Mg NE2 I:His741 1.84 Mg ND1 I:His741 3.93 Mg CD2 I:His741 2.82 Mg CE1 I:His741 2.84 Mg CG I:His741 3.96 Mg CG2 I:Val745 4.05 Mg NE2 I:His821 1.95 Mg ND1 I:His821 3.97 Mg CD2 I:His821 3.01 Mg CE1 I:His821 2.84 Mg CG I:His821 4.08 Mg CB I:Asp822 4.23 Mg OD2 I:Asp822 1.94 Mg OD1 I:Asp822 3.81 Mg CG I:Asp822 3.13 Mg O I:Asp937 4.54 Mg CB I:Asp937 4.30 Mg OD2 I:Asp937 3.35 Mg OD1 I:Asp937 1.96 Mg CG I:Asp937 2.97 Mg CA I:Asp937 4.72 Mg MG I:Mg2140 3.96 Mg O I:Hoh91 1.76 Mg O I:Hoh92 4.96 Mg O I:Hoh94 4.87 Mg O I:Hoh95 4.01 Mg O I:Hoh96 1.74 Mg O I:Hoh1525 4.00 interactive model: Magnesium binding site 18 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 18 of Magnesium in the PDB 1soj. 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: I: His737, I: His821, I: Asp822, I: His825, I: Glu851, I: His854, I: Thr893, I: Asp937, I: Mg2139, I: Hoh91, I: Hoh92, I: Hoh93, I: Hoh94, I: Hoh95, I: Hoh96, conact list: Atom Atom Distance (A) Mg ND1 I:His737 4.80 Mg CE1 I:His737 4.65 Mg O I:His821 4.30 Mg NE2 I:His821 4.38 Mg CD2 I:His821 4.01 Mg CB I:Asp822 4.48 Mg OD2 I:Asp822 3.32 Mg OD1 I:Asp822 2.19 Mg CG I:Asp822 3.09 Mg CA I:Asp822 4.82 Mg ND1 I:His825 4.69 Mg CE1 I:His825 4.73 Mg OE2 I:Glu851 4.13 Mg NE2 I:His854 4.55 Mg CD2 I:His854 4.75 Mg O I:Thr893 4.43 Mg CB I:Thr893 4.71 Mg OG1 I:Thr893 4.29 Mg OD2 I:Asp937 3.92 Mg OD1 I:Asp937 4.78 Mg CG I:Asp937 4.78 Mg MG I:Mg2139 3.96 Mg O I:Hoh91 2.44 Mg O I:Hoh92 1.69 Mg O I:Hoh93 2.31 Mg O I:Hoh94 2.09 Mg O I:Hoh95 1.94 Mg O I:Hoh96 3.61 interactive model: Magnesium binding site 19 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 19 of Magnesium in the PDB 1soj. 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: J: His737, J: His741, J: Val745, J: His821, J: Asp822, J: Asp937, J: Mg2142, J: Hoh101, J: Hoh104, J: Hoh105, J: Hoh106, J: Hoh1530, conact list: Atom Atom Distance (A) Mg ND1 J:His737 4.44 Mg CE1 J:His737 4.73 Mg NE2 J:His741 2.01 Mg ND1 J:His741 4.14 Mg CD2 J:His741 2.80 Mg CE1 J:His741 3.14 Mg CG J:His741 4.02 Mg CG2 J:Val745 4.30 Mg NE2 J:His821 1.81 Mg ND1 J:His821 3.89 Mg CD2 J:His821 2.75 Mg CE1 J:His821 2.83 Mg CG J:His821 3.88 Mg CB J:Asp822 4.20 Mg OD2 J:Asp822 1.88 Mg OD1 J:Asp822 3.79 Mg CG J:Asp822 3.10 Mg O J:Asp937 4.65 Mg CB J:Asp937 4.45 Mg OD2 J:Asp937 3.49 Mg OD1 J:Asp937 2.09 Mg CG J:Asp937 3.12 Mg CA J:Asp937 4.80 Mg MG J:Mg2142 4.06 Mg O J:Hoh101 1.77 Mg O J:Hoh104 4.62 Mg O J:Hoh105 1.73 Mg O J:Hoh106 4.20 Mg O J:Hoh1530 4.32 interactive model: Magnesium binding site 20 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 20 of Magnesium in the PDB 1soj. 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: J: His737, J: His821, J: Asp822, J: His825, J: Glu851, J: His854, J: Thr893, J: Asp937, J: Mg2141, J: Hoh101, J: Hoh102, J: Hoh103, J: Hoh104, J: Hoh105, J: Hoh106, conact list: Atom Atom Distance (A) Mg ND1 J:His737 4.79 Mg CE1 J:His737 4.66 Mg O J:His821 4.35 Mg NE2 J:His821 4.70 Mg CD2 J:His821 4.23 Mg CB J:Asp822 4.67 Mg OD2 J:Asp822 3.45 Mg OD1 J:Asp822 2.36 Mg CG J:Asp822 3.26 Mg ND1 J:His825 4.55 Mg CE1 J:His825 4.42 Mg OE2 J:Glu851 3.98 Mg CD J:Glu851 4.90 Mg CG J:Glu851 4.99 Mg NE2 J:His854 4.50 Mg CD2 J:His854 4.75 Mg O J:Thr893 4.69 Mg CB J:Thr893 4.66 Mg OG1 J:Thr893 4.22 Mg OD2 J:Asp937 4.14 Mg OD1 J:Asp937 4.94 Mg CG J:Asp937 4.98 Mg MG J:Mg2141 4.06 Mg O J:Hoh101 2.45 Mg O J:Hoh102 1.83 Mg O J:Hoh103 2.29 Mg O J:Hoh104 1.79 Mg O J:Hoh105 3.96 Mg O J:Hoh106 1.67 interactive model: Magnesium binding site 21 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 21 of Magnesium in the PDB 1soj. 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: K: His737, K: His741, K: Val745, K: His821, K: Asp822, K: Asp937, K: Mg2144, K: Hoh111, K: Hoh115, K: Hoh116, K: Hoh1625, conact list: Atom Atom Distance (A) Mg ND1 K:His737 4.38 Mg CE1 K:His737 4.60 Mg NE2 K:His741 1.80 Mg ND1 K:His741 3.90 Mg CD2 K:His741 2.81 Mg CE1 K:His741 2.80 Mg CG K:His741 3.94 Mg CG2 K:Val745 4.14 Mg NE2 K:His821 2.14 Mg ND1 K:His821 4.14 Mg CD2 K:His821 3.17 Mg CE1 K:His821 3.01 Mg CG K:His821 4.24 Mg CB K:Asp822 4.28 Mg OD2 K:Asp822 1.93 Mg OD1 K:Asp822 3.81 Mg CG K:Asp822 3.14 Mg O K:Asp937 4.47 Mg CB K:Asp937 4.34 Mg OD2 K:Asp937 3.35 Mg OD1 K:Asp937 1.98 Mg CG K:Asp937 2.98 Mg CA K:Asp937 4.74 Mg MG K:Mg2144 3.96 Mg O K:Hoh111 2.01 Mg O K:Hoh115 4.23 Mg O K:Hoh116 1.80 Mg O K:Hoh1625 3.52 interactive model: Magnesium binding site 22 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 22 of Magnesium in the PDB 1soj. 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: K: His737, K: His821, K: Asp822, K: His825, K: Glu851, K: His854, K: Thr893, K: Asp937, K: Mg2143, K: Hoh111, K: Hoh112, K: Hoh113, K: Hoh114, K: Hoh115, K: Hoh116, conact list: Atom Atom Distance (A) Mg ND1 K:His737 4.47 Mg CE1 K:His737 4.32 Mg O K:His821 4.44 Mg NE2 K:His821 4.56 Mg CD2 K:His821 4.28 Mg CB K:Asp822 4.35 Mg OD2 K:Asp822 3.22 Mg OD1 K:Asp822 2.00 Mg CG K:Asp822 2.95 Mg CA K:Asp822 4.76 Mg ND1 K:His825 4.33 Mg CE1 K:His825 4.34 Mg OE2 K:Glu851 4.22 Mg NE2 K:His854 4.44 Mg CD2 K:His854 4.74 Mg O K:Thr893 4.72 Mg OG1 K:Thr893 4.67 Mg OD2 K:Asp937 4.19 Mg OD1 K:Asp937 4.96 Mg MG K:Mg2143 3.96 Mg O K:Hoh111 2.27 Mg O K:Hoh112 2.23 Mg O K:Hoh113 2.09 Mg O K:Hoh114 2.48 Mg O K:Hoh115 1.86 Mg O K:Hoh116 3.55 interactive model: Magnesium binding site 23 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 23 of Magnesium in the PDB 1soj. 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: L: His737, L: His741, L: Val745, L: His821, L: Asp822, L: Asp937, L: Mg2146, L: Hoh121, L: Hoh124, L: Hoh125, L: Hoh126, L: Hoh1630, conact list: Atom Atom Distance (A) Mg ND1 L:His737 4.30 Mg CE1 L:His737 4.51 Mg NE2 L:His741 2.07 Mg ND1 L:His741 4.21 Mg CD2 L:His741 2.91 Mg CE1 L:His741 3.17 Mg CG L:His741 4.12 Mg CG2 L:Val745 4.49 Mg NE2 L:His821 2.04 Mg ND1 L:His821 4.14 Mg CD2 L:His821 2.88 Mg CE1 L:His821 3.11 Mg CG L:His821 4.07 Mg CB L:Asp822 4.29 Mg OD2 L:Asp822 1.89 Mg OD1 L:Asp822 3.71 Mg CG L:Asp822 3.09 Mg O L:Asp937 4.56 Mg CB L:Asp937 4.40 Mg OD2 L:Asp937 3.31 Mg OD1 L:Asp937 2.04 Mg CG L:Asp937 3.02 Mg CA L:Asp937 4.81 Mg MG L:Mg2146 3.63 Mg O L:Hoh121 1.99 Mg O L:Hoh124 4.37 Mg O L:Hoh125 1.67 Mg O L:Hoh126 4.90 Mg O L:Hoh1630 3.97 interactive model: Magnesium binding site 24 out of 24 in 1soj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 24 of Magnesium in the PDB 1soj. 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: L: His737, L: His821, L: Asp822, L: His825, L: Glu851, L: His854, L: Thr893, L: Asp937, L: Mg2145, L: Hoh121, L: Hoh122, L: Hoh123, L: Hoh124, L: Hoh125, L: Hoh126, conact list: Atom Atom Distance (A) Mg ND1 L:His737 4.54 Mg CE1 L:His737 4.51 Mg O L:His821 4.08 Mg NE2 L:His821 4.42 Mg CD2 L:His821 3.97 Mg C L:His821 4.84 Mg CB L:Asp822 4.22 Mg OD2 L:Asp822 3.05 Mg OD1 L:Asp822 1.92 Mg CG L:Asp822 2.81 Mg CA L:Asp822 4.62 Mg ND1 L:His825 4.30 Mg CE1 L:His825 4.29 Mg OE2 L:Glu851 4.35 Mg NE2 L:His854 4.31 Mg CD2 L:His854 4.57 Mg CB L:Thr893 4.85 Mg OG1 L:Thr893 4.36 Mg OD2 L:Asp937 4.21 Mg OD1 L:Asp937 4.86 Mg CG L:Asp937 4.98 Mg MG L:Mg2145 3.63 Mg O L:Hoh121 2.10 Mg O L:Hoh122 2.22 Mg O L:Hoh123 2.19 Mg O L:Hoh124 2.16 Mg O L:Hoh125 3.62 Mg O L:Hoh126 2.72 interactive model: