Calcium in PDB 3np6: The Crystal Structure of Berberine Bound to Dna D(Cgtacg)

The structure of The Crystal Structure of Berberine Bound to Dna D(Cgtacg), PDB code: 3np6 was solved by M.Ferraroni, C.Bazzicalupi, P.Gratteri, A.R.Bilia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.42 / 2.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	30.370, 30.370, 118.260, 90.00, 90.00, 120.00
R / Rfree (%)	23.6 / 30.1

The binding sites of Calcium atom in the The Crystal Structure of Berberine Bound to Dna D(Cgtacg) (pdb code 3np6). 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 The Crystal Structure of Berberine Bound to Dna D(Cgtacg), PDB code: 3np6:

Calcium binding site 1 out of 1 in the The Crystal Structure of Berberine Bound to Dna D(Cgtacg)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Berberine Bound to Dna D(Cgtacg) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:36.4 occ:1.00 OP1 B:DG12 2.2 16.2 1.0 OP1 D:DG12 2.5 17.2 1.0 P B:DG12 3.6 14.9 1.0 P D:DG12 3.8 16.3 1.0 O3' D:DC11 4.1 17.8 1.0 O3' B:DC11 4.2 14.4 1.0 OP2 B:DG12 4.3 15.1 1.0 OP2 D:DG12 4.6 16.3 1.0 O5' B:DG12 4.6 17.0 1.0 C5' B:DG12 4.8 18.2 1.0 O5' D:DG12 4.9 17.6 1.0

M.Ferraroni, C.Bazzicalupi, A.R.Bilia, P.Gratteri. X-Ray Diffraction Analyses of the Natural Isoquinoline Alkaloids Berberine and Sanguinarine Complexed with Double Helix Dna D(Cgtacg) Chem.Commun.(Camb.) V. 47 4917 2011.
ISSN: ISSN 1359-7345
PubMed: 21431128
DOI: 10.1039/C1CC10971E