Magnesium in the structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex With Tri-Substituted Imidazole Inhibitor (4-(2-Tert-Butyl-4-(6-Methoxynaphthalen-2-Yl)-1H- Imidazol-5-Yl)Pyridin-2-Amine) and L-Methionine-S- Sulfoximine Phosphate (pdb 3zxv)

The binding sites of Magnesium atom in the structure of Crystal Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex With Tri-Substituted Imidazole Inhibitor (4-(2-Tert-Butyl-4-(6-Methoxynaphthalen-2-Yl)-1H- Imidazol-5-Yl)Pyridin-2-Amine) and L-Methionine-S- Sulfoximine Phosphate (pdb code 3zxv). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3zxv structure was solved by M.T.NILSSON, S.L.MOWBRAY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.7-2.3 Space group C2221 a (A) 132.590 b (A) 227.150 c (A) 201.620 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.505 Rfree (%) 21.055 Magnesium Binding Sites: Magnesium binding site 1 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3zxv. 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: Glu133, A: Glu135, A: His217, A: Glu219, A: Glu227, A: His276, A: Mg504, A: P3s505, A: Hoh2059, A: Hoh2060, A: Hoh2117, conact list: Atom Atom Distance (A) Mg OE1 A:Glu133 4.15 Mg OE1 A:Glu135 4.11 Mg OE2 A:Glu135 2.05 Mg CD A:Glu135 3.07 Mg CG A:Glu135 3.60 Mg CE1 A:His217 4.58 Mg OE1 A:Glu219 3.85 Mg OE2 A:Glu219 2.08 Mg CD A:Glu219 3.02 Mg CG A:Glu219 3.80 Mg OE1 A:Glu227 1.98 Mg CB A:Glu227 4.56 Mg OE2 A:Glu227 3.59 Mg CD A:Glu227 3.10 Mg CG A:Glu227 4.34 Mg ND1 A:His276 4.79 Mg CE1 A:His276 4.43 Mg MG A:Mg504 3.74 Mg CB A:P3s505 4.23 Mg OE A:P3s505 4.72 Mg PA A:P3s505 2.93 Mg CG A:P3s505 3.82 Mg NE A:P3s505 2.38 Mg SD A:P3s505 3.48 Mg O2A A:P3s505 2.25 Mg CE A:P3s505 3.90 Mg O3A A:P3s505 3.93 Mg O1A A:P3s505 3.97 Mg O A:Hoh2059 4.36 Mg O A:Hoh2060 2.11 Mg O A:Hoh2117 4.35 interactive model: Magnesium binding site 2 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3zxv. 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: Glu133, A: His276, A: His278, A: Arg352, A: Glu366, A: Arg368, A: Mg504, A: P3s505, A: Po4506, A: Hoh2060, A: Hoh2061, conact list: Atom Atom Distance (A) Mg OE1 A:Glu133 2.32 Mg CB A:Glu133 4.63 Mg OE2 A:Glu133 2.15 Mg CD A:Glu133 2.53 Mg CG A:Glu133 4.02 Mg NE2 A:His276 4.35 Mg CB A:His276 3.64 Mg ND1 A:His276 2.33 Mg CD2 A:His276 4.42 Mg CE1 A:His276 3.23 Mg CG A:His276 3.33 Mg NE2 A:His278 3.86 Mg CD2 A:His278 4.79 Mg CE1 A:His278 4.74 Mg NH1 A:Arg352 3.94 Mg OE1 A:Glu366 3.95 Mg OE2 A:Glu366 1.97 Mg CD A:Glu366 3.21 Mg CG A:Glu366 4.24 Mg CZ A:Arg368 4.86 Mg NH1 A:Arg368 3.78 Mg MG A:Mg504 3.87 Mg PA A:P3s505 3.36 Mg NE A:P3s505 4.32 Mg O2A A:P3s505 3.70 Mg O3A A:P3s505 2.06 Mg O1A A:P3s505 4.40 Mg O1 A:Po4506 4.34 Mg O2 A:Po4506 2.00 Mg P A:Po4506 3.21 Mg O4 A:Po4506 4.00 Mg O3 A:Po4506 3.41 Mg O A:Hoh2060 3.83 Mg O A:Hoh2061 4.68 interactive model: Magnesium binding site 3 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 3zxv. 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: Glu133, A: Lys215, A: His217, A: Glu219, A: Glu227, A: Asn229, A: Mg502, A: Mg503, A: P3s505, A: Po4506, A: Hoh2060, A: Hoh2061, A: Hoh2097, A: Hoh2117, A: Hoh2118, conact list: Atom Atom Distance (A) Mg OE1 A:Glu133 2.05 Mg CB A:Glu133 4.29 Mg OE2 A:Glu133 4.14 Mg CD A:Glu133 3.14 Mg CG A:Glu133 3.75 Mg NZ A:Lys215 4.37 Mg NE2 A:His217 4.40 Mg CE1 A:His217 4.98 Mg OE2 A:Glu219 4.96 Mg OE1 A:Glu227 3.33 Mg OE2 A:Glu227 2.03 Mg CD A:Glu227 3.01 Mg CG A:Glu227 4.36 Mg ND2 A:Asn229 4.33 Mg OD1 A:Asn229 3.93 Mg CG A:Asn229 4.57 Mg MG A:Mg502 3.74 Mg MG A:Mg503 3.87 Mg PA A:P3s505 3.29 Mg NE A:P3s505 4.51 Mg O2A A:P3s505 2.06 Mg O3A A:P3s505 3.71 Mg O1A A:P3s505 4.06 Mg O1 A:Po4506 4.56 Mg O2 A:Po4506 3.90 Mg P A:Po4506 3.37 Mg O4 A:Po4506 3.69 Mg O3 A:Po4506 2.18 Mg O A:Hoh2060 3.48 Mg O A:Hoh2061 2.10 Mg O A:Hoh2097 4.02 Mg O A:Hoh2117 2.05 Mg O A:Hoh2118 4.79 interactive model: Magnesium binding site 4 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 3zxv. 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: Glu133, B: Glu135, B: His217, B: Glu219, B: Glu227, B: His276, B: Mg504, B: P3s505, B: Hoh2057, B: Hoh2059, B: Hoh2105, conact list: Atom Atom Distance (A) Mg OE1 B:Glu133 4.09 Mg OE1 B:Glu135 4.14 Mg OE2 B:Glu135 2.15 Mg CD B:Glu135 3.14 Mg CG B:Glu135 3.65 Mg NE2 B:His217 4.97 Mg CE1 B:His217 4.55 Mg OE1 B:Glu219 3.91 Mg OE2 B:Glu219 2.04 Mg CD B:Glu219 3.05 Mg CG B:Glu219 3.82 Mg OE1 B:Glu227 1.93 Mg CB B:Glu227 4.53 Mg OE2 B:Glu227 3.54 Mg CD B:Glu227 3.05 Mg CG B:Glu227 4.29 Mg ND1 B:His276 4.76 Mg CE1 B:His276 4.45 Mg MG B:Mg504 3.72 Mg CB B:P3s505 4.25 Mg OE B:P3s505 4.69 Mg PA B:P3s505 2.87 Mg CG B:P3s505 3.90 Mg NE B:P3s505 2.34 Mg SD B:P3s505 3.47 Mg O2A B:P3s505 2.20 Mg CE B:P3s505 3.92 Mg O3A B:P3s505 3.94 Mg O1A B:P3s505 3.93 Mg O B:Hoh2057 4.39 Mg O B:Hoh2059 2.06 Mg O B:Hoh2105 4.31 interactive model: Magnesium binding site 5 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Magnesium in the PDB 3zxv. 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: Glu133, B: His276, B: His278, B: Arg352, B: Glu366, B: Arg368, B: Mg504, B: P3s505, B: Po4506, B: Hoh2058, B: Hoh2059, conact list: Atom Atom Distance (A) Mg OE1 B:Glu133 2.37 Mg CB B:Glu133 4.66 Mg OE2 B:Glu133 2.11 Mg CD B:Glu133 2.55 Mg CG B:Glu133 4.04 Mg NE2 B:His276 4.30 Mg CB B:His276 3.64 Mg ND1 B:His276 2.32 Mg CD2 B:His276 4.38 Mg CE1 B:His276 3.19 Mg CG B:His276 3.31 Mg NE2 B:His278 3.89 Mg CD2 B:His278 4.81 Mg CE1 B:His278 4.78 Mg NH1 B:Arg352 3.95 Mg OE1 B:Glu366 3.98 Mg OE2 B:Glu366 2.00 Mg CD B:Glu366 3.24 Mg CG B:Glu366 4.25 Mg CZ B:Arg368 4.81 Mg NH1 B:Arg368 3.68 Mg MG B:Mg504 3.87 Mg PA B:P3s505 3.29 Mg NE B:P3s505 4.27 Mg O2A B:P3s505 3.59 Mg O3A B:P3s505 1.99 Mg O1A B:P3s505 4.33 Mg O1 B:Po4506 4.36 Mg O2 B:Po4506 2.05 Mg P B:Po4506 3.25 Mg O4 B:Po4506 4.02 Mg O3 B:Po4506 3.44 Mg O B:Hoh2058 4.76 Mg O B:Hoh2059 3.88 interactive model: Magnesium binding site 6 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Magnesium in the PDB 3zxv. 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: Glu133, B: Lys215, B: His217, B: Glu219, B: Glu227, B: Asn229, B: Mg502, B: Mg503, B: P3s505, B: Po4506, B: Hoh2058, B: Hoh2059, B: Hoh2090, B: Hoh2104, B: Hoh2105, conact list: Atom Atom Distance (A) Mg OE1 B:Glu133 2.08 Mg CB B:Glu133 4.39 Mg OE2 B:Glu133 4.13 Mg CD B:Glu133 3.20 Mg CG B:Glu133 3.92 Mg NZ B:Lys215 4.33 Mg NE2 B:His217 4.45 Mg OE2 B:Glu219 4.97 Mg OE1 B:Glu227 3.40 Mg OE2 B:Glu227 2.19 Mg CD B:Glu227 3.13 Mg CG B:Glu227 4.48 Mg ND2 B:Asn229 4.44 Mg OD1 B:Asn229 4.01 Mg CG B:Asn229 4.66 Mg MG B:Mg502 3.72 Mg MG B:Mg503 3.87 Mg PA B:P3s505 3.24 Mg NE B:P3s505 4.47 Mg O2A B:P3s505 2.01 Mg O3A B:P3s505 3.69 Mg O1A B:P3s505 3.99 Mg O1 B:Po4506 4.49 Mg O2 B:Po4506 3.87 Mg P B:Po4506 3.28 Mg O4 B:Po4506 3.59 Mg O3 B:Po4506 2.05 Mg O B:Hoh2058 2.10 Mg O B:Hoh2059 3.57 Mg O B:Hoh2090 3.89 Mg O B:Hoh2104 4.72 Mg O B:Hoh2105 1.97 interactive model: Magnesium binding site 7 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Magnesium in the PDB 3zxv. 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: Glu133, C: Glu135, C: His217, C: Glu219, C: Glu227, C: His276, C: Mg504, C: P3s505, C: Hoh2057, C: Hoh2059, C: Hoh2106, conact list: Atom Atom Distance (A) Mg OE1 C:Glu133 4.13 Mg OE1 C:Glu135 4.05 Mg OE2 C:Glu135 2.01 Mg CD C:Glu135 3.02 Mg CG C:Glu135 3.56 Mg CE1 C:His217 4.62 Mg OE1 C:Glu219 3.89 Mg OE2 C:Glu219 2.11 Mg CD C:Glu219 3.07 Mg CG C:Glu219 3.84 Mg OE1 C:Glu227 1.98 Mg CB C:Glu227 4.56 Mg OE2 C:Glu227 3.69 Mg CD C:Glu227 3.13 Mg CG C:Glu227 4.34 Mg ND1 C:His276 4.76 Mg CE1 C:His276 4.38 Mg MG C:Mg504 3.76 Mg CB C:P3s505 4.21 Mg OE C:P3s505 4.69 Mg PA C:P3s505 2.96 Mg CG C:P3s505 3.86 Mg NE C:P3s505 2.34 Mg SD C:P3s505 3.46 Mg O2A C:P3s505 2.29 Mg CE C:P3s505 3.96 Mg O3A C:P3s505 3.95 Mg O1A C:P3s505 4.03 Mg O C:Hoh2057 4.25 Mg O C:Hoh2059 2.10 Mg O C:Hoh2106 4.36 interactive model: Magnesium binding site 8 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Magnesium in the PDB 3zxv. 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: Glu133, C: His276, C: His278, C: Arg352, C: Glu366, C: Arg368, C: Mg504, C: P3s505, C: Po4506, C: Hoh2058, C: Hoh2059, conact list: Atom Atom Distance (A) Mg OE1 C:Glu133 2.34 Mg CB C:Glu133 4.61 Mg OE2 C:Glu133 2.12 Mg CD C:Glu133 2.53 Mg CG C:Glu133 4.00 Mg NE2 C:His276 4.38 Mg CB C:His276 3.66 Mg ND1 C:His276 2.34 Mg CD2 C:His276 4.46 Mg CE1 C:His276 3.24 Mg CG C:His276 3.35 Mg NE2 C:His278 3.88 Mg CD2 C:His278 4.80 Mg CE1 C:His278 4.77 Mg NH1 C:Arg352 3.95 Mg OE1 C:Glu366 4.00 Mg OE2 C:Glu366 2.05 Mg CD C:Glu366 3.27 Mg CG C:Glu366 4.29 Mg CZ C:Arg368 4.84 Mg NH1 C:Arg368 3.72 Mg MG C:Mg504 3.73 Mg PA C:P3s505 3.27 Mg NE C:P3s505 4.26 Mg O2A C:P3s505 3.54 Mg O3A C:P3s505 1.98 Mg O1A C:P3s505 4.33 Mg O1 C:Po4506 4.34 Mg O2 C:Po4506 2.01 Mg P C:Po4506 3.18 Mg O4 C:Po4506 3.95 Mg O3 C:Po4506 3.38 Mg O C:Hoh2058 4.70 Mg O C:Hoh2059 3.83 interactive model: Magnesium binding site 9 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Magnesium in the PDB 3zxv. 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: Glu133, C: Lys215, C: His217, C: Glu219, C: Glu227, C: Asn229, C: Mg502, C: Mg503, C: P3s505, C: Po4506, C: Hoh2058, C: Hoh2059, C: Hoh2092, C: Hoh2106, C: Hoh2151, conact list: Atom Atom Distance (A) Mg OE1 C:Glu133 2.02 Mg CB C:Glu133 4.37 Mg OE2 C:Glu133 4.09 Mg CD C:Glu133 3.15 Mg CG C:Glu133 3.86 Mg NZ C:Lys215 4.39 Mg NE2 C:His217 4.45 Mg OE2 C:Glu219 4.95 Mg OE1 C:Glu227 3.33 Mg OE2 C:Glu227 2.19 Mg CD C:Glu227 3.10 Mg CG C:Glu227 4.51 Mg ND2 C:Asn229 4.49 Mg OD1 C:Asn229 4.03 Mg CG C:Asn229 4.70 Mg MG C:Mg502 3.76 Mg MG C:Mg503 3.73 Mg PA C:P3s505 3.20 Mg NE C:P3s505 4.42 Mg O2A C:P3s505 1.97 Mg O3A C:P3s505 3.61 Mg O1A C:P3s505 3.98 Mg O1 C:Po4506 4.41 Mg O2 C:Po4506 3.80 Mg P C:Po4506 3.22 Mg O4 C:Po4506 3.56 Mg O3 C:Po4506 2.03 Mg O C:Hoh2058 2.23 Mg O C:Hoh2059 3.55 Mg O C:Hoh2092 3.86 Mg O C:Hoh2106 2.01 Mg O C:Hoh2151 4.88 interactive model: Magnesium binding site 10 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Magnesium in the PDB 3zxv. 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: Glu133, D: Glu135, D: His217, D: Glu219, D: Glu227, D: His276, D: Mg504, D: P3s505, D: Hoh2058, D: Hoh2060, D: Hoh2109, conact list: Atom Atom Distance (A) Mg OE1 D:Glu133 4.14 Mg OE1 D:Glu135 4.15 Mg OE2 D:Glu135 2.03 Mg CD D:Glu135 3.11 Mg CG D:Glu135 3.66 Mg NE2 D:His217 4.95 Mg CE1 D:His217 4.53 Mg OE1 D:Glu219 3.88 Mg OE2 D:Glu219 2.12 Mg CD D:Glu219 3.07 Mg CG D:Glu219 3.81 Mg OE1 D:Glu227 1.97 Mg CB D:Glu227 4.53 Mg OE2 D:Glu227 3.61 Mg CD D:Glu227 3.09 Mg CG D:Glu227 4.33 Mg ND1 D:His276 4.79 Mg CE1 D:His276 4.44 Mg MG D:Mg504 3.73 Mg CB D:P3s505 4.25 Mg OE D:P3s505 4.67 Mg PA D:P3s505 2.95 Mg CG D:P3s505 3.86 Mg NE D:P3s505 2.33 Mg SD D:P3s505 3.45 Mg O2A D:P3s505 2.27 Mg CE D:P3s505 3.93 Mg O3A D:P3s505 3.98 Mg O1A D:P3s505 4.00 Mg O D:Hoh2058 4.38 Mg O D:Hoh2060 2.12 Mg O D:Hoh2109 4.33 interactive model: Magnesium binding site 11 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 11 of Magnesium in the PDB 3zxv. 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: Glu133, D: His276, D: His278, D: Arg352, D: Glu366, D: Arg368, D: Mg504, D: P3s505, D: Po4506, D: Hoh2059, D: Hoh2060, conact list: Atom Atom Distance (A) Mg OE1 D:Glu133 2.37 Mg CB D:Glu133 4.67 Mg OE2 D:Glu133 2.19 Mg CD D:Glu133 2.59 Mg CG D:Glu133 4.06 Mg NE2 D:His276 4.30 Mg CB D:His276 3.65 Mg ND1 D:His276 2.28 Mg CD2 D:His276 4.39 Mg CE1 D:His276 3.16 Mg CG D:His276 3.31 Mg NE2 D:His278 3.96 Mg CD2 D:His278 4.88 Mg CE1 D:His278 4.83 Mg NH1 D:Arg352 3.99 Mg OE1 D:Glu366 4.01 Mg OE2 D:Glu366 2.04 Mg CD D:Glu366 3.28 Mg CG D:Glu366 4.30 Mg CZ D:Arg368 4.78 Mg NH1 D:Arg368 3.68 Mg MG D:Mg504 3.87 Mg PA D:P3s505 3.23 Mg NE D:P3s505 4.20 Mg O2A D:P3s505 3.58 Mg O3A D:P3s505 1.97 Mg O1A D:P3s505 4.32 Mg O1 D:Po4506 4.40 Mg O2 D:Po4506 2.11 Mg P D:Po4506 3.25 Mg O4 D:Po4506 4.03 Mg O3 D:Po4506 3.36 Mg O D:Hoh2059 4.70 Mg O D:Hoh2060 3.76 interactive model: Magnesium binding site 12 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 12 of Magnesium in the PDB 3zxv. 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: Glu133, D: Lys215, D: His217, D: Glu219, D: Glu227, D: Asn229, D: Mg502, D: Mg503, D: P3s505, D: Po4506, D: Hoh2059, D: Hoh2060, D: Hoh2095, D: Hoh2109, D: Hoh2154, conact list: Atom Atom Distance (A) Mg OE1 D:Glu133 2.13 Mg CB D:Glu133 4.43 Mg OE2 D:Glu133 4.17 Mg CD D:Glu133 3.22 Mg CG D:Glu133 3.89 Mg NZ D:Lys215 4.29 Mg NE2 D:His217 4.38 Mg CE1 D:His217 4.96 Mg OE2 D:Glu219 4.99 Mg OE1 D:Glu227 3.36 Mg OE2 D:Glu227 2.18 Mg CD D:Glu227 3.10 Mg CG D:Glu227 4.46 Mg ND2 D:Asn229 4.42 Mg OD1 D:Asn229 4.06 Mg CG D:Asn229 4.69 Mg MG D:Mg502 3.73 Mg MG D:Mg503 3.87 Mg PA D:P3s505 3.28 Mg NE D:P3s505 4.46 Mg O2A D:P3s505 2.02 Mg O3A D:P3s505 3.79 Mg O1A D:P3s505 4.04 Mg O1 D:Po4506 4.42 Mg O2 D:Po4506 3.94 Mg P D:Po4506 3.32 Mg O4 D:Po4506 3.66 Mg O3 D:Po4506 2.06 Mg O D:Hoh2059 2.14 Mg O D:Hoh2060 3.54 Mg O D:Hoh2095 3.88 Mg O D:Hoh2109 1.95 Mg O D:Hoh2154 4.75 interactive model: Magnesium binding site 13 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 13 of Magnesium in the PDB 3zxv. 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: Glu133, E: Glu135, E: His217, E: Glu219, E: Glu227, E: His276, E: Mg503, E: Mg504, E: P3s505, E: Po4506, E: Hoh2057, E: Hoh2059, E: Hoh2107, conact list: Atom Atom Distance (A) Mg OE1 E:Glu133 4.03 Mg OE1 E:Glu135 4.20 Mg OE2 E:Glu135 2.15 Mg CD E:Glu135 3.17 Mg CG E:Glu135 3.69 Mg CE1 E:His217 4.61 Mg OE1 E:Glu219 3.93 Mg OE2 E:Glu219 2.09 Mg CD E:Glu219 3.10 Mg CG E:Glu219 3.89 Mg OE1 E:Glu227 1.98 Mg CB E:Glu227 4.61 Mg OE2 E:Glu227 3.57 Mg CD E:Glu227 3.09 Mg CG E:Glu227 4.36 Mg ND1 E:His276 4.67 Mg CE1 E:His276 4.36 Mg MG E:Mg503 4.87 Mg MG E:Mg504 3.54 Mg CB E:P3s505 4.23 Mg OE E:P3s505 4.70 Mg PA E:P3s505 2.80 Mg CG E:P3s505 3.88 Mg NE E:P3s505 2.27 Mg SD E:P3s505 3.46 Mg O2A E:P3s505 2.14 Mg CE E:P3s505 3.91 Mg O3A E:P3s505 3.79 Mg O1A E:P3s505 3.89 Mg O3 E:Po4506 4.96 Mg O E:Hoh2057 4.42 Mg O E:Hoh2059 2.08 Mg O E:Hoh2107 4.32 interactive model: Magnesium binding site 14 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 14 of Magnesium in the PDB 3zxv. 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: Glu133, E: His276, E: His278, E: Arg347, E: Arg352, E: Glu366, E: Arg368, E: Mg502, E: Mg504, E: P3s505, E: Po4506, E: Hoh2058, E: Hoh2059, conact list: Atom Atom Distance (A) Mg OE1 E:Glu133 2.39 Mg CB E:Glu133 4.67 Mg OE2 E:Glu133 2.23 Mg CD E:Glu133 2.62 Mg CG E:Glu133 4.09 Mg NE2 E:His276 4.27 Mg CB E:His276 3.68 Mg ND1 E:His276 2.30 Mg CD2 E:His276 4.38 Mg CE1 E:His276 3.14 Mg CG E:His276 3.31 Mg NE2 E:His278 4.02 Mg CD2 E:His278 4.94 Mg CE1 E:His278 4.89 Mg NH2 E:Arg347 5.00 Mg NH1 E:Arg352 3.97 Mg OE1 E:Glu366 4.02 Mg OE2 E:Glu366 2.05 Mg CD E:Glu366 3.29 Mg CG E:Glu366 4.33 Mg CZ E:Arg368 4.75 Mg NH1 E:Arg368 3.65 Mg MG E:Mg502 4.87 Mg MG E:Mg504 3.82 Mg PA E:P3s505 3.20 Mg NE E:P3s505 4.18 Mg O2A E:P3s505 3.57 Mg O3A E:P3s505 1.87 Mg O1A E:P3s505 4.26 Mg O1 E:Po4506 4.35 Mg O2 E:Po4506 2.08 Mg P E:Po4506 3.24 Mg O4 E:Po4506 4.06 Mg O3 E:Po4506 3.36 Mg O E:Hoh2058 4.69 Mg O E:Hoh2059 3.71 interactive model: Magnesium binding site 15 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 15 of Magnesium in the PDB 3zxv. 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: Glu133, E: Lys215, E: His217, E: Glu219, E: Glu227, E: Asn229, E: Mg502, E: Mg503, E: P3s505, E: Po4506, E: Hoh2058, E: Hoh2059, E: Hoh2093, E: Hoh2107, E: Hoh2108, conact list: Atom Atom Distance (A) Mg OE1 E:Glu133 2.05 Mg CB E:Glu133 4.34 Mg OE2 E:Glu133 4.13 Mg CD E:Glu133 3.17 Mg CG E:Glu133 3.85 Mg NZ E:Lys215 4.47 Mg NE2 E:His217 4.41 Mg CE1 E:His217 4.96 Mg OE2 E:Glu219 4.83 Mg OE1 E:Glu227 3.22 Mg OE2 E:Glu227 2.10 Mg CD E:Glu227 3.00 Mg CG E:Glu227 4.41 Mg ND2 E:Asn229 4.43 Mg OD1 E:Asn229 4.09 Mg CG E:Asn229 4.71 Mg MG E:Mg502 3.54 Mg MG E:Mg503 3.82 Mg PA E:P3s505 3.17 Mg NE E:P3s505 4.37 Mg O2A E:P3s505 1.90 Mg O3A E:P3s505 3.61 Mg O1A E:P3s505 3.95 Mg O1 E:Po4506 4.55 Mg O2 E:Po4506 3.91 Mg P E:Po4506 3.36 Mg O4 E:Po4506 3.69 Mg O3 E:Po4506 2.18 Mg O E:Hoh2058 2.13 Mg O E:Hoh2059 3.47 Mg O E:Hoh2093 3.90 Mg O E:Hoh2107 2.06 Mg O E:Hoh2108 4.81 interactive model: Magnesium binding site 16 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 16 of Magnesium in the PDB 3zxv. 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: Glu133, F: Glu135, F: His217, F: Glu219, F: Glu227, F: His276, F: Mg503, F: Mg504, F: P3s505, F: Hoh2043, F: Hoh2044, F: Hoh2078, F: Hoh2092, conact list: Atom Atom Distance (A) Mg OE1 F:Glu133 4.05 Mg OE1 F:Glu135 4.17 Mg OE2 F:Glu135 2.11 Mg CD F:Glu135 3.14 Mg CG F:Glu135 3.65 Mg NE2 F:His217 4.99 Mg CE1 F:His217 4.58 Mg OE1 F:Glu219 4.03 Mg OE2 F:Glu219 2.15 Mg CD F:Glu219 3.17 Mg CG F:Glu219 3.92 Mg OE1 F:Glu227 1.97 Mg CB F:Glu227 4.54 Mg OE2 F:Glu227 3.59 Mg CD F:Glu227 3.08 Mg CG F:Glu227 4.29 Mg ND1 F:His276 4.75 Mg CE1 F:His276 4.40 Mg MG F:Mg503 4.95 Mg MG F:Mg504 3.68 Mg CB F:P3s505 4.28 Mg OE F:P3s505 4.71 Mg PA F:P3s505 2.88 Mg CG F:P3s505 3.90 Mg NE F:P3s505 2.36 Mg SD F:P3s505 3.48 Mg O2A F:P3s505 2.20 Mg CE F:P3s505 3.92 Mg O3A F:P3s505 3.85 Mg O1A F:P3s505 3.98 Mg O F:Hoh2043 4.35 Mg O F:Hoh2044 2.06 Mg O F:Hoh2078 4.99 Mg O F:Hoh2092 4.30 interactive model: Magnesium binding site 17 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 17 of Magnesium in the PDB 3zxv. 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: Glu133, F: His276, F: His278, F: Arg352, F: Glu366, F: Arg368, F: Mg502, F: Mg504, F: P3s505, F: Po4506, F: Hoh2044, F: Hoh2045, conact list: Atom Atom Distance (A) Mg OE1 F:Glu133 2.30 Mg CB F:Glu133 4.54 Mg OE2 F:Glu133 2.06 Mg CD F:Glu133 2.47 Mg CG F:Glu133 3.93 Mg NE2 F:His276 4.37 Mg CB F:His276 3.63 Mg ND1 F:His276 2.33 Mg CD2 F:His276 4.43 Mg CE1 F:His276 3.23 Mg CG F:His276 3.33 Mg NE2 F:His278 3.86 Mg CD2 F:His278 4.78 Mg CE1 F:His278 4.74 Mg NH1 F:Arg352 4.00 Mg OE1 F:Glu366 4.05 Mg OE2 F:Glu366 2.05 Mg CD F:Glu366 3.29 Mg CG F:Glu366 4.28 Mg CZ F:Arg368 4.90 Mg NH1 F:Arg368 3.81 Mg MG F:Mg502 4.95 Mg MG F:Mg504 3.80 Mg PA F:P3s505 3.33 Mg NE F:P3s505 4.26 Mg O2A F:P3s505 3.61 Mg O3A F:P3s505 2.08 Mg O1A F:P3s505 4.40 Mg O1 F:Po4506 4.33 Mg O2 F:Po4506 2.06 Mg P F:Po4506 3.19 Mg O4 F:Po4506 3.94 Mg O3 F:Po4506 3.38 Mg O F:Hoh2044 3.75 Mg O F:Hoh2045 4.65 interactive model: Magnesium binding site 18 out of 18 in 3zxv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 18 of Magnesium in the PDB 3zxv. 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: Glu133, F: Lys215, F: His217, F: Glu227, F: Asn229, F: Mg502, F: Mg503, F: P3s505, F: Po4506, F: Hoh2044, F: Hoh2045, F: Hoh2078, F: Hoh2092, F: Hoh2093, conact list: Atom Atom Distance (A) Mg OE1 F:Glu133 2.06 Mg CB F:Glu133 4.38 Mg OE2 F:Glu133 4.10 Mg CD F:Glu133 3.16 Mg CG F:Glu133 3.85 Mg NZ F:Lys215 4.33 Mg NE2 F:His217 4.41 Mg OE1 F:Glu227 3.32 Mg OE2 F:Glu227 2.14 Mg CD F:Glu227 3.07 Mg CG F:Glu227 4.43 Mg ND2 F:Asn229 4.38 Mg OD1 F:Asn229 3.99 Mg CG F:Asn229 4.63 Mg MG F:Mg502 3.68 Mg MG F:Mg503 3.80 Mg PA F:P3s505 3.29 Mg NE F:P3s505 4.50 Mg O2A F:P3s505 2.05 Mg O3A F:P3s505 3.70 Mg O1A F:P3s505 4.05 Mg O1 F:Po4506 4.49 Mg O2 F:Po4506 3.91 Mg P F:Po4506 3.31 Mg O4 F:Po4506 3.62 Mg O3 F:Po4506 2.12 Mg O F:Hoh2044 3.52 Mg O F:Hoh2045 2.10 Mg O F:Hoh2078 3.78 Mg O F:Hoh2092 2.00 Mg O F:Hoh2093 4.70 interactive model: