Magnesium in the structure of Crystal Structure of L-Fuconate Dehydratase From Xanthomonas Campestris Pv. Campestris Str. Atcc 33913 (pdb 2hne)

The binding sites of Magnesium atom in the structure of Crystal Structure of L-Fuconate Dehydratase From Xanthomonas Campestris Pv. Campestris Str. Atcc 33913 (pdb code 2hne). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2hne structure was solved by A.A.FEDOROV, E.V.FEDOROV, W.S.YEW, J.A.GERLT, S.C.ALMO, S.K.BURLEY, NEW YORK SGX RESEARCH CENTER FOR STRUCTURALGENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.7-2.0 Space group P3221 a (A) 130.633 b (A) 130.633 c (A) 195.829 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 24.1 Rfree (%) 27.4 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 2hne Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2hne. 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: Lys218, A: Asp248, A: Asn250, A: Glu274, A: Glu275, A: Glu301, A: His351, A: Hoh602, A: Hoh675, A: Hoh676, A: Hoh677, conact list: Atom Atom Distance (A) Mg CE A:Lys218 4.62 Mg NZ A:Lys218 3.78 Mg CB A:Asp248 4.55 Mg OD2 A:Asp248 2.23 Mg OD1 A:Asp248 3.54 Mg CG A:Asp248 3.22 Mg OD1 A:Asn250 4.19 Mg CG A:Asn250 4.96 Mg OE1 A:Glu274 4.22 Mg CB A:Glu274 4.75 Mg OE2 A:Glu274 2.23 Mg CD A:Glu274 3.20 Mg CG A:Glu274 3.72 Mg OE2 A:Glu275 4.28 Mg CG A:Glu275 4.92 Mg OE1 A:Glu301 2.18 Mg OE2 A:Glu301 3.43 Mg CD A:Glu301 3.10 Mg CG A:Glu301 4.41 Mg ND1 A:His351 4.52 Mg CE1 A:His351 4.83 Mg O A:Hoh602 4.35 Mg O A:Hoh675 2.25 Mg O A:Hoh676 2.36 Mg O A:Hoh677 2.41 interactive model: Magnesium binding site 2 out of 4 in 2hne Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2hne. 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: Lys218, B: Lys220, B: Asp248, B: Asn250, B: Glu274, B: Glu275, B: Glu301, B: His351, B: Hoh610, B: Hoh629, B: Hoh691, B: Hoh692, B: Hoh693, conact list: Atom Atom Distance (A) Mg NZ B:Lys218 4.32 Mg NZ B:Lys220 3.60 Mg CB B:Asp248 4.51 Mg OD2 B:Asp248 2.21 Mg OD1 B:Asp248 3.55 Mg CG B:Asp248 3.21 Mg ND2 B:Asn250 4.97 Mg OD1 B:Asn250 4.13 Mg CG B:Asn250 4.81 Mg OE1 B:Glu274 4.43 Mg CB B:Glu274 4.97 Mg OE2 B:Glu274 2.32 Mg CD B:Glu274 3.44 Mg CG B:Glu274 4.07 Mg OE2 B:Glu275 4.30 Mg OE1 B:Glu301 2.19 Mg CB B:Glu301 4.94 Mg OE2 B:Glu301 3.04 Mg CD B:Glu301 2.89 Mg CG B:Glu301 4.25 Mg ND1 B:His351 4.24 Mg CE1 B:His351 4.52 Mg O B:Hoh610 4.30 Mg O B:Hoh629 4.79 Mg O B:Hoh691 2.29 Mg O B:Hoh692 2.25 Mg O B:Hoh693 2.23 interactive model: Magnesium binding site 3 out of 4 in 2hne Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2hne. 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: Lys218, C: Lys220, C: Asp248, C: Asn250, C: Glu274, C: Glu275, C: Glu301, C: His351, C: Hoh652, C: Hoh664, C: Hoh665, C: Hoh666, conact list: Atom Atom Distance (A) Mg CE C:Lys218 4.77 Mg NZ C:Lys218 3.87 Mg NZ C:Lys220 3.75 Mg CB C:Asp248 4.58 Mg OD2 C:Asp248 2.25 Mg OD1 C:Asp248 3.81 Mg CG C:Asp248 3.35 Mg OD1 C:Asn250 4.15 Mg CG C:Asn250 4.94 Mg OE1 C:Glu274 4.25 Mg OE2 C:Glu274 2.28 Mg CD C:Glu274 3.36 Mg CG C:Glu274 4.10 Mg OE2 C:Glu275 4.29 Mg OE1 C:Glu301 2.17 Mg OE2 C:Glu301 3.29 Mg CD C:Glu301 3.01 Mg CG C:Glu301 4.32 Mg ND1 C:His351 4.15 Mg CE1 C:His351 4.30 Mg O C:Hoh652 4.48 Mg O C:Hoh664 2.36 Mg O C:Hoh665 2.35 Mg O C:Hoh666 2.46 interactive model: Magnesium binding site 4 out of 4 in 2hne Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 2hne. 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: Lys218, D: Lys220, D: Asp248, D: Asn250, D: Glu274, D: Glu275, D: Glu301, D: His351, D: Glu382, D: Hoh613, D: Hoh667, D: Hoh668, D: Hoh669, conact list: Atom Atom Distance (A) Mg CE D:Lys218 4.93 Mg NZ D:Lys218 3.78 Mg CE D:Lys220 4.88 Mg NZ D:Lys220 3.51 Mg CB D:Asp248 4.50 Mg OD2 D:Asp248 2.18 Mg OD1 D:Asp248 3.84 Mg CG D:Asp248 3.32 Mg ND2 D:Asn250 4.95 Mg OD1 D:Asn250 4.50 Mg OE1 D:Glu274 4.41 Mg OE2 D:Glu274 2.45 Mg CD D:Glu274 3.59 Mg CG D:Glu274 4.43 Mg OE2 D:Glu275 4.90 Mg OE1 D:Glu301 2.20 Mg CB D:Glu301 4.98 Mg OE2 D:Glu301 3.17 Mg CD D:Glu301 3.02 Mg CG D:Glu301 4.44 Mg ND1 D:His351 4.01 Mg CE1 D:His351 4.05 Mg OE2 D:Glu382 4.80 Mg O D:Hoh613 4.84 Mg O D:Hoh667 2.61 Mg O D:Hoh668 2.25 Mg O D:Hoh669 2.33 interactive model: