Magnesium in the structure of Complex Of Gs-Alpha With the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex With 2',5'-Dideoxy-Adenosine 3'- Triphosphate and Mg (pdb 1cul)

The binding sites of Magnesium atom in the structure of Complex Of Gs-Alpha With the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex With 2',5'-Dideoxy-Adenosine 3'- Triphosphate and Mg (pdb code 1cul). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1cul structure was solved by J.J.G.TESMER, C.A.DESSAUER, R.K.SUNAHARA, R.A.JOHNSON, A.G.GILMAN, S.R.SPRANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.4 Space group P21212 a (A) 118.200 b (A) 133.600 c (A) 70.600 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.6 Rfree (%) 26.3 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 1cul Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1cul. 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: Asp396, A: Ile397, A: Glu398, A: Gly399, A: Phe400, A: Asp440, A: Mg1007, A: 3po1003, conact list: Atom Atom Distance (A) Mg CB A:Asp396 4.54 Mg OD2 A:Asp396 3.40 Mg C A:Asp396 4.47 Mg OD1 A:Asp396 2.33 Mg CG A:Asp396 3.17 Mg CA A:Asp396 4.96 Mg O A:Ile397 2.03 Mg N A:Ile397 3.92 Mg CB A:Ile397 4.60 Mg C A:Ile397 3.24 Mg CA A:Ile397 4.09 Mg N A:Glu398 4.22 Mg C A:Glu398 4.55 Mg CA A:Glu398 4.34 Mg N A:Gly399 4.53 Mg N A:Phe400 4.23 Mg CB A:Phe400 3.89 Mg CA A:Phe400 4.72 Mg CB A:Asp440 4.33 Mg OD2 A:Asp440 3.99 Mg OD1 A:Asp440 2.05 Mg CG A:Asp440 3.28 Mg MG A:Mg1007 3.44 Mg O1B A:3po1003 4.77 Mg PG A:3po1003 3.66 Mg PB A:3po1003 3.38 Mg O3B A:3po1003 3.60 Mg O2G A:3po1003 2.58 Mg PA A:3po1003 4.05 Mg O5' A:3po1003 3.62 Mg O2B A:3po1003 2.35 Mg O3G A:3po1003 4.72 Mg O1G A:3po1003 4.62 Mg O3A A:3po1003 3.62 Mg O1A A:3po1003 3.99 interactive model: Magnesium binding site 2 out of 3 in 1cul Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1cul. 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: Asp396, A: Asp440, A: Cys441, A: Mg1006, A: 3po1003, B: 1031082, conact list: Atom Atom Distance (A) Mg OD2 A:Asp396 2.96 Mg OD1 A:Asp396 4.13 Mg CG A:Asp396 3.93 Mg CB A:Asp440 4.73 Mg OD2 A:Asp440 2.64 Mg OD1 A:Asp440 3.03 Mg CG A:Asp440 3.21 Mg CB A:Cys441 4.86 Mg MG A:Mg1006 3.44 Mg PB A:3po1003 4.27 Mg O2G A:3po1003 4.61 Mg PA A:3po1003 2.49 Mg O5' A:3po1003 1.91 Mg O2B A:3po1003 3.76 Mg O3A A:3po1003 3.48 Mg O1A A:3po1003 2.12 Mg O2A A:3po1003 3.62 Mg C3' B:1031082 3.66 Mg P B:1031082 2.94 Mg O3P B:1031082 4.25 Mg O3' B:1031082 3.61 Mg O1P B:1031082 2.01 Mg C2' B:1031082 3.90 Mg O2P B:1031082 3.28 interactive model: Magnesium binding site 3 out of 3 in 1cul Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 1cul. 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: Lys53, C: Ser54, C: Val202, C: Thr204, C: Asp223, C: Val224, C: Gsp395, C: Hoh405, C: Hoh409, C: Hoh427, conact list: Atom Atom Distance (A) Mg CB C:Lys53 4.82 Mg CE C:Lys53 4.79 Mg C C:Lys53 4.92 Mg N C:Ser54 3.85 Mg CB C:Ser54 3.28 Mg OG C:Ser54 2.55 Mg CA C:Ser54 4.12 Mg O C:Val202 4.66 Mg N C:Thr204 4.20 Mg CB C:Thr204 3.16 Mg CG2 C:Thr204 4.07 Mg OG1 C:Thr204 2.17 Mg CA C:Thr204 4.29 Mg OD2 C:Asp223 4.37 Mg OD1 C:Asp223 4.42 Mg CG C:Asp223 4.82 Mg O C:Val224 4.54 Mg PG C:Gsp395 3.01 Mg O3B C:Gsp395 3.06 Mg O2G C:Gsp395 1.97 Mg PA C:Gsp395 4.49 Mg S1G C:Gsp395 4.52 Mg O2B C:Gsp395 1.87 Mg O3A C:Gsp395 4.01 Mg O3G C:Gsp395 3.91 Mg O2A C:Gsp395 4.25 Mg O1B C:Gsp395 4.05 Mg PB C:Gsp395 2.99 Mg O1A C:Gsp395 4.62 Mg O C:Hoh405 2.16 Mg O C:Hoh409 2.07 Mg O C:Hoh427 4.46 interactive model: