Cobalt in PDB 6qjs: Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label

The structure of Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label, PDB code: 6qjs was solved by J.S.Hardwick, M.M.Haugland, D.Ptchelkine, T.Brown, E.E.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.24 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	42.999, 42.999, 97.493, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 25.1

The binding sites of Cobalt atom in the Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label (pdb code 6qjs). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label, PDB code: 6qjs:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label within 5.0Å range: probe atom residue distance (Å) B Occ A:Co101 b:33.0 occ:0.50 CO A:NCO101 0.0 33.0 0.5 N2 A:NCO101 2.0 30.5 0.5 N6 A:NCO101 2.0 30.1 0.5 N3 A:NCO101 2.0 31.2 0.5 N5 A:NCO101 2.0 30.8 0.5 N4 A:NCO101 2.0 32.9 0.5 N1 A:NCO101 2.0 29.7 0.5 OP1 A:DT7 4.2 35.6 1.0 N15 B:S6M21 4.4 36.7 1.0 N14 B:S6M21 4.7 33.9 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label within 5.0Å range: probe atom residue distance (Å) B Occ A:Co102 b:15.6 occ:0.50 CO A:NCO102 0.0 15.6 0.5 N5 A:NCO102 1.9 16.5 0.5 N4 A:NCO102 1.9 15.6 0.5 N3 A:NCO102 1.9 15.6 0.5 N2 A:NCO102 2.0 17.7 0.5 N6 A:NCO102 2.0 16.1 0.5 N1 A:NCO102 2.0 18.1 0.5 N14 A:S6M9 3.8 29.2 1.0 N15 A:S6M9 3.9 27.8 1.0 OP1 B:DT19 3.9 31.7 1.0 O A:HOH203 4.0 16.8 1.0 O3' B:DA18 4.6 27.0 1.0 P B:DT19 4.9 30.1 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label within 5.0Å range: probe atom residue distance (Å) B Occ A:Co103 b:40.3 occ:1.00 CO A:NCO103 0.0 40.3 1.0 N2 A:NCO103 2.0 35.0 1.0 N6 A:NCO103 2.0 38.0 1.0 N5 A:NCO103 2.0 32.6 1.0 N4 A:NCO103 2.0 43.8 1.0 N3 A:NCO103 2.0 39.0 1.0 N1 A:NCO103 2.0 40.2 1.0 OP2 A:DG12 3.7 46.9 1.0 O6 A:DG12 4.8 40.5 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of A Dna Dodecamer Containing A Tetramethylpiperidinoxyl (Nitroxide) Spin Label within 5.0Å range: probe atom residue distance (Å) B Occ B:Co101 b:28.9 occ:0.50 CO B:NCO101 0.0 28.9 0.5 N6 B:NCO101 2.0 29.2 0.5 N4 B:NCO101 2.0 30.0 0.5 N1 B:NCO101 2.0 30.6 0.5 N2 B:NCO101 2.0 31.5 0.5 N3 B:NCO101 2.0 30.7 0.5 N5 B:NCO101 2.0 26.2 0.5 OP1 B:DC23 4.0 47.6 1.0 OP2 B:DC23 4.4 32.1 1.0 P B:DC23 4.7 37.3 1.0 O6 B:DG24 4.8 38.5 1.0

J.S.Hardwick, M.M.Haugland, D.Ptchelkine, T.Brown, E.E.Anderson. A Multi-Technique Approach to Epr-Based Dna Structure Determination To Be Published.