Cobalt in the structure of Arpte (K185R/D208G/N265D/T274N) (pdb 3a4j)

The binding sites of Cobalt atom in the structure of Arpte (K185R/D208G/N265D/T274N) (pdb code 3a4j). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 3a4j structure was solved by J.L.FOO, C.J.JACKSON, P.D.CARR, D.L.OLLIS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.2 Space group P3121 a (A) 108.946 b (A) 108.946 c (A) 62.884 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 12.8 Rfree (%) 14.5 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 3a4j Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 3a4j. 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: His55, A: His57, A: Val101, A: Kcx169, A: His230, A: Asp301, A: Co801, A: Hoh12, A: Hoh554, A: Hoh668, conact list: Atom Atom Distance (A) Co NE2 A:His55 2.05 Co ND1 A:His55 4.22 Co CD2 A:His55 3.03 Co CE1 A:His55 3.08 Co CG A:His55 4.20 Co NE2 A:His57 2.03 Co ND1 A:His57 4.16 Co CD2 A:His57 3.12 Co CE1 A:His57 2.98 Co CG A:His57 4.23 Co CG2 A:Val101 4.13 Co OQ1 A:Kcx169 3.41 Co CX A:Kcx169 3.01 Co OQ2 A:Kcx169 2.08 Co NZ A:Kcx169 4.09 Co NE2 A:His230 4.35 Co CE1 A:His230 4.20 Co CB A:Asp301 4.38 Co OD2 A:Asp301 3.37 Co OD1 A:Asp301 2.17 Co CG A:Asp301 3.09 Co CA A:Asp301 4.85 Co CO A:Co801 3.55 Co O A:Hoh12 4.24 Co O A:Hoh554 4.66 Co O A:Hoh668 2.00 interactive model: Cobalt binding site 2 out of 2 in 3a4j Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 3a4j. 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: His55, A: Trp131, A: Kcx169, A: His201, A: His230, A: Arg254, A: Asp301, A: Co800, A: Hoh12, A: Hoh420, A: Hoh668, conact list: Atom Atom Distance (A) Co NE2 A:His55 4.08 Co CE1 A:His55 4.05 Co CD1 A:Trp131 4.66 Co NE1 A:Trp131 4.10 Co OQ1 A:Kcx169 2.03 Co CX A:Kcx169 3.07 Co CE A:Kcx169 4.65 Co OQ2 A:Kcx169 3.36 Co NZ A:Kcx169 4.23 Co NE2 A:His201 4.13 Co CB A:His201 3.57 Co ND1 A:His201 2.14 Co CD2 A:His201 4.24 Co CE1 A:His201 2.99 Co CG A:His201 3.17 Co CA A:His201 4.37 Co NE2 A:His230 2.01 Co ND1 A:His230 4.13 Co CD2 A:His230 3.04 Co CE1 A:His230 3.02 Co CG A:His230 4.17 Co CZ A:Arg254 4.52 Co NE A:Arg254 4.87 Co NH2 A:Arg254 3.82 Co OD2 A:Asp301 4.17 Co OD1 A:Asp301 4.86 Co CG A:Asp301 4.91 Co CO A:Co800 3.55 Co O A:Hoh12 2.37 Co O A:Hoh420 4.56 Co O A:Hoh668 2.09 interactive model: