Calcium in PDB 2b2b: Structural Distortions in Psoralen Cross-Linked Dna

The structure of Structural Distortions in Psoralen Cross-Linked Dna, PDB code: 2b2b was solved by F.A.Hays, H.Yonggang, B.F.Eichman, W.Kong, J.Hearst, P.S.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.89 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.007, 22.496, 44.670, 90.00, 128.80, 90.00
R / Rfree (%)	21 / 26.2

The structure of Structural Distortions in Psoralen Cross-Linked Dna also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Calcium atom in the Structural Distortions in Psoralen Cross-Linked Dna (pdb code 2b2b). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structural Distortions in Psoralen Cross-Linked Dna, PDB code: 2b2b:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structural Distortions in Psoralen Cross-Linked Dna


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Distortions in Psoralen Cross-Linked Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca25 b:17.1 occ:1.00 O A:HOH224 2.3 18.2 1.0 O B:HOH75 2.4 22.1 1.0 O A:HOH42 2.5 8.4 1.0 O A:HOH90 2.8 16.0 1.0 O B:HOH225 3.2 21.4 1.0 O B:HOH38 3.6 25.2 1.0 N2 B:DG13 3.9 7.4 1.0 O B:HOH123 4.2 32.5 1.0 N2 A:DG9 4.4 7.5 1.0 O4' A:DG10 4.6 9.1 1.0 N3 B:DG13 4.6 5.5 1.0 N3 A:DG9 4.7 4.5 1.0 O4' A:DG9 4.7 3.4 1.0 C2 B:DG13 4.7 4.9 1.0 O B:HOH28 4.8 25.1 1.0 C4' A:DG10 4.9 8.1 1.0

Calcium binding site 2 out of 2 in the Structural Distortions in Psoralen Cross-Linked Dna


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Distortions in Psoralen Cross-Linked Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca23 b:5.8 occ:1.00 O B:HOH223 2.2 21.0 1.0 OP2 B:DG17 2.3 5.7 1.0 O B:HOH50 2.6 9.4 1.0 O B:HOH97 2.7 13.1 1.0 O B:HOH93 2.9 25.1 1.0 P B:DG17 3.7 6.0 1.0 O B:HOH109 4.0 13.5 1.0 O B:HOH66 4.4 16.1 1.0 O3' B:DA16 4.5 11.2 1.0 N7 B:DG17 4.5 7.2 1.0 OP1 B:DG17 4.5 9.5 1.0 C2' B:DA16 4.5 9.1 1.0 C3' B:DA16 4.5 11.5 1.0 C8 B:DG17 4.5 3.6 1.0 O5' B:DG17 4.7 8.3 1.0 O B:HOH219 4.8 34.4 1.0 O B:HOH192 5.0 37.8 1.0

F.A.Hays, H.Yonggang, B.F.Eichman, W.Kong, J.Hearst, P.S.Ho. Structural Distortions in Psoralen Cross-Linked Dna To Be Published.