Magnesium in the structure of Formyl Glycinamide Ribonucletide Amidotransferase From Salmonella Typhimurum: Role of the Atp Complexation and Glutaminase Domain in Catalytic Coupling (pdb 3ugj)

The binding sites of Magnesium atom in the structure of Formyl Glycinamide Ribonucletide Amidotransferase From Salmonella Typhimurum: Role of the Atp Complexation and Glutaminase Domain in Catalytic Coupling (pdb code 3ugj). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3ugj structure was solved by M.MORAR, A.S.TANWAR, S.PANJIKAR, R.ANAND, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.8 Space group P65 a (A) 145.983 b (A) 145.983 c (A) 141.149 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.1 Rfree (%) 24 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 3ugj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3ugj. 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: Asp679, A: Glu718, A: Asn722, A: His883, A: Asp884, A: Ser886, A: Adp2005, A: Hoh1345, A: Hoh1394, A: Hoh1445, A: Hoh1663, conact list: Atom Atom Distance (A) Mg CB A:Asp679 3.98 Mg OD2 A:Asp679 4.04 Mg OD1 A:Asp679 2.24 Mg CG A:Asp679 3.22 Mg CA A:Asp679 4.44 Mg OE2 A:Glu718 4.74 Mg CB A:Asn722 4.63 Mg ND2 A:Asn722 3.67 Mg OD1 A:Asn722 2.29 Mg CG A:Asn722 3.29 Mg CA A:Asn722 4.87 Mg NE2 A:His883 4.34 Mg CD2 A:His883 4.35 Mg O A:Asp884 4.22 Mg N A:Asp884 4.63 Mg CB A:Asp884 4.42 Mg OD2 A:Asp884 3.24 Mg C A:Asp884 4.66 Mg OD1 A:Asp884 2.15 Mg CG A:Asp884 3.03 Mg CA A:Asp884 4.81 Mg CB A:Ser886 4.88 Mg OG A:Ser886 4.04 Mg O3B A:Adp2005 3.63 Mg O1B A:Adp2005 2.20 Mg PB A:Adp2005 3.27 Mg O2B A:Adp2005 3.77 Mg O3A A:Adp2005 4.64 Mg O A:Hoh1345 4.12 Mg O A:Hoh1394 4.29 Mg O A:Hoh1445 4.86 Mg O A:Hoh1663 4.38 interactive model: Magnesium binding site 2 out of 3 in 3ugj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3ugj. 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: Tyr388, A: Ile697, A: Glu699, A: Glu718, A: Asn722, A: Ser886, A: Asp887, A: Adp2005, A: Hoh1297, A: Hoh1300, A: Hoh1403, A: Hoh1534, conact list: Atom Atom Distance (A) Mg CB A:Tyr388 4.97 Mg O A:Ile697 4.28 Mg O A:Glu699 4.64 Mg N A:Glu699 4.78 Mg OE1 A:Glu699 4.46 Mg OE1 A:Glu718 3.34 Mg OE2 A:Glu718 2.20 Mg CD A:Glu718 3.11 Mg CG A:Glu718 4.49 Mg ND2 A:Asn722 4.21 Mg CB A:Ser886 4.75 Mg OG A:Ser886 4.75 Mg OD2 A:Asp887 4.41 Mg O3B A:Adp2005 2.43 Mg PA A:Adp2005 4.99 Mg O1B A:Adp2005 4.80 Mg PB A:Adp2005 3.64 Mg O2B A:Adp2005 3.67 Mg O3A A:Adp2005 4.34 Mg O1A A:Adp2005 4.38 Mg O A:Hoh1297 2.39 Mg O A:Hoh1300 2.30 Mg O A:Hoh1403 4.09 Mg O A:Hoh1534 4.09 interactive model: Magnesium binding site 3 out of 3 in 3ugj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 3ugj. 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: Thr645, A: Val646, A: Ser886, A: Asp887, A: Val892, A: Glu896, A: Adp2005, A: Hoh1297, A: Hoh1345, A: Hoh1394, A: Hoh1400, A: Hoh1445, conact list: Atom Atom Distance (A) Mg O A:Thr645 4.55 Mg O A:Val646 4.45 Mg CA A:Val646 4.87 Mg OG A:Ser886 4.12 Mg O A:Asp887 4.39 Mg CB A:Asp887 4.66 Mg OD2 A:Asp887 4.68 Mg CG1 A:Val892 4.87 Mg OE1 A:Glu896 4.09 Mg OE2 A:Glu896 4.00 Mg CD A:Glu896 4.47 Mg O3B A:Adp2005 4.87 Mg PA A:Adp2005 3.49 Mg O2A A:Adp2005 2.28 Mg O1B A:Adp2005 4.20 Mg PB A:Adp2005 3.61 Mg O5' A:Adp2005 4.75 Mg O2B A:Adp2005 2.40 Mg O3A A:Adp2005 3.91 Mg O1A A:Adp2005 4.09 Mg O A:Hoh1297 4.07 Mg O A:Hoh1345 4.59 Mg O A:Hoh1394 2.38 Mg O A:Hoh1400 4.01 Mg O A:Hoh1445 4.33 interactive model: