Magnesium in the structure of The Crystal Structure Of the I-Domain of Human Integrin ALPHA1BETA1 (pdb 1qcy)

The binding sites of Magnesium atom in the structure of The Crystal Structure Of the I-Domain of Human Integrin ALPHA1BETA1 (pdb code 1qcy). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1qcy structure was solved by J.A.KANKARE, T.A.SALMINEN, Y.NYMALM, J.KAEPYLAE, J.HEINO, M.S.JOHNSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 500.0-2.3 Space group C121 a (A) 74.457 b (A) 81.858 c (A) 37.316 alpha (°) 90.00 beta (°) 90.78 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 25.8 Magnesium Binding Sites: Magnesium binding site 1 out of 1 in 1qcy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1qcy. 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: Asp150, A: Ser152, A: Ser154, A: Thr220, A: Asp253, A: Gly254, A: Ser284, A: Hoh5, A: Hoh47, A: Hoh48, conact list: Atom Atom Distance (A) Mg OD2 A:Asp150 4.36 Mg CB A:Ser152 3.33 Mg OG A:Ser152 2.81 Mg CA A:Ser152 4.73 Mg N A:Ser154 4.62 Mg CB A:Ser154 3.63 Mg OG A:Ser154 2.41 Mg CA A:Ser154 4.69 Mg OG1 A:Thr220 4.05 Mg O A:Asp253 4.18 Mg CB A:Asp253 4.85 Mg OD2 A:Asp253 3.66 Mg C A:Asp253 4.39 Mg OD1 A:Asp253 2.64 Mg CG A:Asp253 3.49 Mg N A:Gly254 4.59 Mg CA A:Gly254 4.59 Mg OG A:Ser284 4.85 Mg O A:Hoh5 2.45 Mg O A:Hoh47 2.60 Mg O A:Hoh48 2.54 interactive model: