Magnesium in the structure of Crystal Structure of Human PDK4-Adp Complex (pdb 2zkj)

The binding sites of Magnesium atom in the structure of Crystal Structure of Human PDK4-Adp Complex (pdb code 2zkj). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2zkj structure was solved by M.KATO, R.M.WYNN, J.L.CHUANG, S.-C.TSO, J.LI, D.T.CHUANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.2-2.0 Space group P1211 a (A) 71.616 b (A) 68.743 c (A) 81.554 alpha (°) 90.00 beta (°) 100.10 gamma (°) 90.00 Rfactor (%) 18.5 Rfree (%) 24 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 2zkj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2zkj. 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: Glu254, A: Asn258, A: Leu327, A: Ala328, A: Gly333, A: Adp501, A: Po4502, A: Hoh521, A: Hoh524, A: Hoh566, A: Hoh597, conact list: Atom Atom Distance (A) Mg O A:Glu254 4.34 Mg OE1 A:Glu254 4.16 Mg N A:Asn258 4.85 Mg CB A:Asn258 4.46 Mg ND2 A:Asn258 3.39 Mg OD1 A:Asn258 2.11 Mg CG A:Asn258 3.08 Mg CA A:Asn258 4.77 Mg O A:Leu327 4.79 Mg CB A:Ala328 4.90 Mg N A:Gly333 4.39 Mg CA A:Gly333 4.17 Mg O3B A:Adp501 2.02 Mg PA A:Adp501 3.13 Mg O2A A:Adp501 4.49 Mg O1B A:Adp501 4.40 Mg PB A:Adp501 3.14 Mg O5' A:Adp501 3.85 Mg O2B A:Adp501 3.76 Mg O3A A:Adp501 3.34 Mg O1A A:Adp501 2.07 Mg O1 A:Po4502 2.10 Mg O2 A:Po4502 3.97 Mg P A:Po4502 3.35 Mg O4 A:Po4502 3.66 Mg O3 A:Po4502 4.51 Mg O A:Hoh521 2.21 Mg O A:Hoh524 3.91 Mg O A:Hoh566 4.15 Mg O A:Hoh597 2.11 interactive model: Magnesium binding site 2 out of 2 in 2zkj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2zkj. 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: Glu254, B: Asn258, B: Leu327, B: Gly333, B: Adp501, B: Po4502, B: Hoh506, B: Hoh512, B: Hoh517, B: Hoh528, conact list: Atom Atom Distance (A) Mg O B:Glu254 4.47 Mg OE1 B:Glu254 4.03 Mg N B:Asn258 4.77 Mg CB B:Asn258 4.48 Mg ND2 B:Asn258 3.45 Mg OD1 B:Asn258 2.12 Mg CG B:Asn258 3.11 Mg CA B:Asn258 4.81 Mg O B:Leu327 4.73 Mg N B:Gly333 4.35 Mg CA B:Gly333 4.15 Mg O3B B:Adp501 2.07 Mg PA B:Adp501 3.18 Mg O2A B:Adp501 4.44 Mg O1B B:Adp501 4.38 Mg PB B:Adp501 3.15 Mg O5' B:Adp501 3.96 Mg O2B B:Adp501 3.78 Mg O3A B:Adp501 3.34 Mg O1A B:Adp501 2.04 Mg O1 B:Po4502 3.59 Mg O2 B:Po4502 2.05 Mg P B:Po4502 3.38 Mg O4 B:Po4502 4.03 Mg O3 B:Po4502 4.59 Mg O B:Hoh506 2.14 Mg O B:Hoh512 3.83 Mg O B:Hoh517 2.11 Mg O B:Hoh528 4.21 interactive model: