Magnesium in the structure of Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I- Domain / Lovastatin At 2.6 A Resolution (pdb 1cqp)

The binding sites of Magnesium atom in the structure of Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I- Domain / Lovastatin At 2.6 A Resolution (pdb code 1cqp). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1cqp structure was solved by J.KALLEN, K.WELZENBACH, P.RAMAGE, D.GEYL, R.KRIWACKI, G.LEGGE, S.COTTENS, G.WEITZ-SCHMIDT, U.HOMMEL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.6 Space group P212121 a (A) 72.700 b (A) 77.700 c (A) 91.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) 25.7 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1cqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1cqp. 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: Asp137, A: Ser139, A: Met140, A: Ser141, A: Thr206, A: Asp239, A: Gly240, A: Hoh3, A: Hoh4, A: Hoh8, A: Hoh17, A: Hoh28, conact list: Atom Atom Distance (A) Mg OD2 A:Asp137 4.15 Mg OD1 A:Asp137 4.21 Mg CG A:Asp137 4.63 Mg CB A:Ser139 3.02 Mg OG A:Ser139 2.16 Mg C A:Ser139 4.64 Mg CA A:Ser139 4.38 Mg N A:Met140 4.77 Mg N A:Ser141 4.11 Mg CB A:Ser141 3.32 Mg OG A:Ser141 2.06 Mg CA A:Ser141 4.33 Mg CB A:Thr206 4.99 Mg OG1 A:Thr206 3.61 Mg O A:Asp239 4.82 Mg CB A:Asp239 4.85 Mg OD2 A:Asp239 3.88 Mg C A:Asp239 4.54 Mg OD1 A:Asp239 2.41 Mg CG A:Asp239 3.50 Mg N A:Gly240 4.37 Mg CA A:Gly240 4.48 Mg O A:Hoh3 2.25 Mg O A:Hoh4 4.87 Mg O A:Hoh8 3.67 Mg O A:Hoh17 2.49 Mg O A:Hoh28 4.38 interactive model: Magnesium binding site 2 out of 2 in 1cqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1cqp. 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: Asp137, B: Ser139, B: Met140, B: Ser141, B: Leu142, B: Thr206, B: Asp239, B: Gly240, B: Hoh324, B: Hoh342, conact list: Atom Atom Distance (A) Mg OD2 B:Asp137 4.22 Mg OD1 B:Asp137 4.82 Mg CG B:Asp137 4.91 Mg O B:Ser139 4.98 Mg CB B:Ser139 3.38 Mg OG B:Ser139 2.23 Mg C B:Ser139 4.67 Mg CA B:Ser139 4.57 Mg N B:Met140 4.94 Mg N B:Ser141 3.91 Mg CB B:Ser141 2.75 Mg OG B:Ser141 1.96 Mg C B:Ser141 4.80 Mg CA B:Ser141 3.91 Mg N B:Leu142 4.94 Mg OG1 B:Thr206 4.07 Mg O B:Asp239 4.49 Mg CB B:Asp239 4.96 Mg OD2 B:Asp239 4.01 Mg C B:Asp239 4.45 Mg OD1 B:Asp239 2.62 Mg CG B:Asp239 3.65 Mg N B:Gly240 4.53 Mg CA B:Gly240 4.56 Mg O B:Hoh324 2.26 Mg O B:Hoh342 4.99 interactive model: