Calcium in PDB 3t86: D(Gcatgct) + Calcium

The structure of D(Gcatgct) + Calcium, PDB code: 3t86 was solved by C.J.Cardin, Y.Gan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.11 / 1.90
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	22.742, 58.341, 23.669, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 27.9

The structure of D(Gcatgct) + Calcium also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Calcium atom in the D(Gcatgct) + Calcium (pdb code 3t86). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the D(Gcatgct) + Calcium, PDB code: 3t86:

Calcium binding site 1 out of 1 in the D(Gcatgct) + Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of D(Gcatgct) + Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca9 b:18.7 occ:0.25 O A:HOH106 2.2 16.9 0.5 O A:HOH103 2.5 10.8 0.5 O A:HOH107 2.6 18.2 0.5 O A:HOH105 4.4 13.4 1.0 OP2 A:DT4 4.7 20.9 1.0 OP1 A:DT4 4.8 16.2 1.0

Y.Gan, J.H.Thorpe, S.C.M.Teixeira, A.Naseer, C.J.Cardin. A Novel Structure For the D(Gcatgct) Quadruplex in the Presence of Nickel and Cobalt Aqueous Cations : Comparison with the Vanadium, Barium and Calcium-Bound Structural Motif. To Be Published.