Calcium in PDB 6qt4: Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose

The structure of Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose, PDB code: 6qt4 was solved by V.Bugris, V.Harmat, G.Ferenc, S.Brockhauser, I.Carmichael, E.F.Garman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.40 / 1.80
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	36.926, 36.926, 162.362, 90.00, 90.00, 120.00
R / Rfree (%)	23.2 / 31

The binding sites of Calcium atom in the Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose (pdb code 6qt4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose, PDB code: 6qt4:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:39.2 occ:0.33 OP1 A:DC17 2.1 42.5 1.0 O A:HOH223 2.1 41.8 1.0 P A:DC17 3.5 51.8 1.0 OP2 A:DC17 4.2 46.5 1.0 C5' A:DC17 4.2 51.2 1.0 O5' A:DC17 4.4 48.4 1.0 O3' A:DG16 4.6 47.5 1.0 C4' A:DC17 4.7 49.4 1.0

Calcium binding site 2 out of 6 in the Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:45.7 occ:0.33 OP1 A:DA7 2.3 45.9 1.0 O A:HOH221 2.3 43.8 1.0 P A:DA7 3.6 39.9 1.0 O5' A:DA7 4.2 44.8 1.0 C5' A:DA7 4.2 39.9 1.0 OP2 A:DA7 4.4 40.1 1.0 C5' A:DG6 4.5 46.5 1.0 C4' A:DG6 4.7 45.9 1.0 O3' A:DG6 4.7 39.6 1.0 C3' A:DG6 5.0 44.4 1.0

Calcium binding site 3 out of 6 in the Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca103 b:44.4 occ:0.33 OP2 A:DA7 2.3 40.1 1.0 O A:HOH228 2.7 45.4 1.0 P A:DA7 3.5 39.9 1.0 O5' A:DA7 3.8 44.8 1.0 OP1 A:DA7 4.1 45.9 1.0 O A:HOH224 4.2 57.4 1.0 O3' A:DG6 4.8 39.6 1.0

Calcium binding site 4 out of 6 in the Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca104 b:56.3 occ:1.00 OP1 A:DG16 2.4 49.2 1.0 O A:HOH229 2.5 34.9 0.5 O A:HOH234 2.7 54.5 1.0 O A:HOH229 3.1 41.1 0.5 P A:DG16 3.7 49.2 1.0 O A:HOH219 4.0 65.1 1.0 O5' A:DG16 4.2 48.9 1.0 C5' A:DG16 4.3 48.1 1.0 OP2 A:DG16 4.6 46.1 1.0 O3' A:DA15 4.8 46.1 1.0

Calcium binding site 5 out of 6 in the Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca105 b:80.7 occ:1.00 O A:HOH235 2.1 80.9 1.0 O A:HOH238 2.6 57.5 1.0 N3 A:DA7 4.6 44.6 1.0 O4' A:DA8 4.7 54.4 1.0 C4' A:DA8 4.8 54.9 1.0 C5' A:DA8 4.9 60.6 1.0 C2 A:DA7 5.0 43.0 1.0

Calcium binding site 6 out of 6 in the Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Radiation Damage Study on A 16MER Dna Segment, Structure at 17.7 Mgy Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca106 b:64.8 occ:1.00 O A:HOH222 2.3 59.7 1.0 OP2 A:DA8 2.4 55.2 1.0 P A:DA8 3.7 55.0 1.0 O5' A:DA8 4.1 54.2 1.0 OP1 A:DA8 4.5 57.7 1.0 O A:HOH228 4.5 45.4 1.0 O3' A:DA7 4.9 51.9 1.0 C3' A:DA7 5.0 45.3 1.0

V.Bugris, V.Harmat, G.Ferenc, S.Brockhauser, I.Carmichael, E.F.Garman. Radiation-Damage Investigation of A Dna 16-Mer. J.Synchrotron Radiat. V. 26 998 2019.
ISSN: ESSN 1600-5775
PubMed: 31274421
DOI: 10.1107/S160057751900763X