Cobalt in the structure of Crystal Structure of Four-Helix Bundle Model Di-Co(II)-DF1-L13A (Form II) (pdb 1ovv)

The binding sites of Cobalt atom in the structure of Crystal Structure of Four-Helix Bundle Model Di-Co(II)-DF1-L13A (Form II) (pdb code 1ovv). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1ovv structure was solved by L.DI COSTANZO, S.GEREMIA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.9 Space group P212121 a (A) 36.920 b (A) 80.050 c (A) 96.620 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 26.7 Rfree (%) 32 Cobalt Binding Sites: Cobalt binding site 1 out of 7 in 1ovv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1ovv. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu10, A: Asp35, A: Glu36, A: His39, B: Glu10, B: Tyr17, B: Ile32, B: Glu36, B: His39, B: Co102, conact list: Atom Atom Distance (A) Co OE1 A:Glu10 2.04 Co CB A:Glu10 4.65 Co OE2 A:Glu10 1.80 Co CD A:Glu10 2.19 Co CG A:Glu10 3.71 Co O A:Asp35 4.34 Co C A:Asp35 4.79 Co N A:Glu36 4.68 Co OE1 A:Glu36 1.84 Co CB A:Glu36 3.87 Co OE2 A:Glu36 3.60 Co CD A:Glu36 2.90 Co C A:Glu36 4.97 Co CG A:Glu36 3.93 Co CA A:Glu36 3.90 Co NE2 A:His39 3.75 Co CB A:His39 3.58 Co ND1 A:His39 1.79 Co CD2 A:His39 3.97 Co CE1 A:His39 2.55 Co CG A:His39 2.98 Co OE1 B:Glu10 4.99 Co CE1 B:Tyr17 4.83 Co OH B:Tyr17 4.36 Co CG2 B:Ile32 4.39 Co OE1 B:Glu36 3.78 Co OE2 B:Glu36 1.95 Co CD B:Glu36 3.14 Co CG B:Glu36 4.29 Co CE1 B:His39 4.84 Co CO B:Co102 4.09 interactive model: Cobalt binding site 2 out of 7 in 1ovv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 1ovv. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Tyr17, A: Ile32, A: Glu36, A: His39, B: Glu10, B: Glu36, B: His39, A: Co101, conact list: Atom Atom Distance (A) Co CZ A:Tyr17 4.65 Co CE1 A:Tyr17 4.46 Co OH A:Tyr17 3.99 Co CG2 A:Ile32 3.93 Co OE1 A:Glu36 3.21 Co OE2 A:Glu36 2.07 Co CD A:Glu36 2.99 Co CG A:Glu36 4.40 Co CE1 A:His39 4.85 Co OE1 B:Glu10 2.11 Co CB B:Glu10 4.51 Co OE2 B:Glu10 1.82 Co CD B:Glu10 2.21 Co CG B:Glu10 3.70 Co N B:Glu36 4.79 Co OE1 B:Glu36 1.75 Co CB B:Glu36 4.20 Co OE2 B:Glu36 3.25 Co CD B:Glu36 2.79 Co CG B:Glu36 4.06 Co CA B:Glu36 4.01 Co NE2 B:His39 4.02 Co CB B:His39 3.70 Co ND1 B:His39 2.09 Co CD2 B:His39 4.21 Co CE1 B:His39 2.86 Co CG B:His39 3.21 Co CO A:Co101 4.09 interactive model: Cobalt binding site 3 out of 7 in 1ovv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cobalt in the PDB 1ovv. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Glu10, C: Asp35, C: Glu36, C: His39, D: Tyr17, D: Ile32, D: Glu36, D: His39, D: Co104, conact list: Atom Atom Distance (A) Co OE1 C:Glu10 1.98 Co CB C:Glu10 4.57 Co OE2 C:Glu10 2.12 Co CD C:Glu10 2.29 Co CG C:Glu10 3.79 Co CA C:Glu10 4.80 Co O C:Asp35 5.00 Co OE1 C:Glu36 1.96 Co CB C:Glu36 4.59 Co OE2 C:Glu36 2.86 Co CD C:Glu36 2.71 Co CG C:Glu36 4.14 Co CA C:Glu36 4.72 Co NE2 C:His39 3.81 Co CB C:His39 3.73 Co ND1 C:His39 1.89 Co CD2 C:His39 4.08 Co CE1 C:His39 2.59 Co CG C:His39 3.12 Co CZ D:Tyr17 4.65 Co CE1 D:Tyr17 4.23 Co OH D:Tyr17 4.46 Co CG2 D:Ile32 4.88 Co OE1 D:Glu36 3.89 Co OE2 D:Glu36 1.83 Co CD D:Glu36 3.08 Co CG D:Glu36 4.11 Co ND1 D:His39 4.76 Co CE1 D:His39 4.68 Co CO D:Co104 3.62 interactive model: Cobalt binding site 4 out of 7 in 1ovv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Cobalt in the PDB 1ovv. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Glu19, C: Glu22, conact list: Atom Atom Distance (A) Co OE1 C:Glu19 2.20 Co CB C:Glu19 3.52 Co OE2 C:Glu19 3.33 Co CD C:Glu19 2.44 Co C C:Glu19 4.85 Co CG C:Glu19 2.70 Co CA C:Glu19 4.49 Co OE2 C:Glu22 4.01 interactive model: Cobalt binding site 5 out of 7 in 1ovv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Cobalt in the PDB 1ovv. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Glu10, C: Tyr17, C: Ile32, C: Glu36, C: His39, D: Glu10, D: Asp35, D: Glu36, D: His39, C: Co103, conact list: Atom Atom Distance (A) Co OE1 C:Glu10 4.76 Co OH C:Tyr17 4.66 Co CG2 C:Ile32 4.57 Co OE1 C:Glu36 3.86 Co OE2 C:Glu36 1.87 Co CD C:Glu36 3.09 Co CG C:Glu36 4.15 Co ND1 C:His39 4.76 Co CE1 C:His39 4.43 Co OE1 D:Glu10 1.93 Co CB D:Glu10 4.66 Co OE2 D:Glu10 2.33 Co CD D:Glu10 2.44 Co CG D:Glu10 3.94 Co O D:Asp35 4.87 Co OE1 D:Glu36 1.93 Co CB D:Glu36 4.58 Co OE2 D:Glu36 2.72 Co CD D:Glu36 2.61 Co CG D:Glu36 4.06 Co CA D:Glu36 4.53 Co NE2 D:His39 4.18 Co CB D:His39 3.62 Co ND1 D:His39 2.14 Co CD2 D:His39 4.30 Co CE1 D:His39 3.02 Co CG D:His39 3.21 Co CO C:Co103 3.62 interactive model: Cobalt binding site 6 out of 7 in 1ovv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Cobalt in the PDB 1ovv. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: E: Glu10, E: Asp35, E: Glu36, E: His39, F: Glu10, F: Tyr17, F: Ile32, F: Glu36, F: His39, F: Co106, conact list: Atom Atom Distance (A) Co OE1 E:Glu10 1.77 Co CB E:Glu10 4.43 Co OE2 E:Glu10 2.22 Co CD E:Glu10 2.25 Co CG E:Glu10 3.70 Co O E:Asp35 4.96 Co OE1 E:Glu36 1.70 Co CB E:Glu36 4.39 Co OE2 E:Glu36 2.90 Co CD E:Glu36 2.62 Co CG E:Glu36 4.00 Co CA E:Glu36 4.24 Co NE2 E:His39 3.81 Co CB E:His39 3.43 Co ND1 E:His39 1.79 Co CD2 E:His39 3.96 Co CE1 E:His39 2.65 Co CG E:His39 2.93 Co CA E:His39 4.91 Co OE1 F:Glu10 4.91 Co OH F:Tyr17 4.44 Co CG2 F:Ile32 3.99 Co OE1 F:Glu36 3.91 Co OE2 F:Glu36 1.89 Co CD F:Glu36 3.11 Co CG F:Glu36 4.12 Co CE1 F:His39 4.57 Co CO F:Co106 4.08 interactive model: Cobalt binding site 7 out of 7 in 1ovv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Cobalt in the PDB 1ovv. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: E: Glu10, E: Tyr17, E: Ile32, E: Glu36, E: His39, F: Glu10, F: Asp35, F: Glu36, F: His39, E: Co105, conact list: Atom Atom Distance (A) Co OE1 E:Glu10 4.97 Co CZ E:Tyr17 4.66 Co CE1 E:Tyr17 4.43 Co OH E:Tyr17 4.04 Co CG2 E:Ile32 4.55 Co OE1 E:Glu36 3.79 Co OE2 E:Glu36 1.76 Co CD E:Glu36 2.97 Co CG E:Glu36 3.91 Co CE1 E:His39 4.85 Co OE1 F:Glu10 1.94 Co CB F:Glu10 4.39 Co OE2 F:Glu10 1.73 Co CD F:Glu10 2.00 Co CG F:Glu10 3.43 Co O F:Asp35 4.57 Co C F:Asp35 4.90 Co N F:Glu36 4.71 Co OE1 F:Glu36 1.80 Co CB F:Glu36 4.31 Co OE2 F:Glu36 2.88 Co CD F:Glu36 2.65 Co CG F:Glu36 4.01 Co CA F:Glu36 4.07 Co NE2 F:His39 3.74 Co CB F:His39 3.67 Co ND1 F:His39 1.82 Co CD2 F:His39 4.00 Co CE1 F:His39 2.52 Co CG F:His39 3.05 Co CO E:Co105 4.08 interactive model: