Bromine in PDB 6iyq: Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6- Thioguanine Disulfides

The structure of Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6- Thioguanine Disulfides, PDB code: 6iyq was solved by J.Kondo, A.Ono, T.Atsugi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.69 / 2.01
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	45.254, 46.522, 76.084, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 28.2

The binding sites of Bromine atom in the Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6- Thioguanine Disulfides (pdb code 6iyq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6- Thioguanine Disulfides, PDB code: 6iyq:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6- Thioguanine Disulfides


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6- Thioguanine Disulfides within 5.0Å range: probe atom residue distance (Å) B Occ A:Br8 b:54.2 occ:1.00 BR A:BRU8 0.0 54.2 1.0 C5 A:BRU8 1.9 39.1 1.0 C4 A:BRU8 2.8 42.8 1.0 C6 A:BRU8 2.8 42.3 1.0 O4 A:BRU8 3.0 33.2 1.0 O3' A:S6G6 3.3 46.6 1.0 OP2 A:S6G7 3.8 49.2 1.0 C1' A:S6G6 3.9 42.0 1.0 P A:S6G7 4.1 51.0 1.0 OP2 A:BRU8 4.1 46.4 1.0 N3 A:BRU8 4.1 38.0 1.0 C2' A:S6G6 4.1 41.3 1.0 N1 A:BRU8 4.1 41.1 1.0 C3' A:S6G7 4.1 45.0 1.0 C2' A:S6G7 4.3 40.8 1.0 C3' A:S6G6 4.3 41.6 1.0 N4 A:DC9 4.3 39.6 1.0 O5' A:S6G7 4.6 46.2 1.0 C2 A:BRU8 4.7 38.6 1.0 O4' A:S6G6 4.7 37.4 1.0 O5' A:BRU8 4.7 47.6 1.0 N3 A:S6G6 4.8 39.8 1.0 P A:BRU8 4.8 44.5 1.0 O3' A:S6G7 4.9 39.9 1.0 N9 A:S6G6 5.0 35.5 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6- Thioguanine Disulfides


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6- Thioguanine Disulfides within 5.0Å range: probe atom residue distance (Å) B Occ B:Br8 b:55.0 occ:1.00 BR B:BRU8 0.0 55.0 1.0 C5 B:BRU8 1.9 40.6 1.0 C6 B:BRU8 2.8 34.7 1.0 C4 B:BRU8 2.9 34.9 1.0 O4 B:BRU8 3.1 35.1 1.0 O3' B:S6G6 3.3 37.4 1.0 OP2 B:S6G7 3.6 41.5 1.0 OP2 B:BRU8 3.9 39.7 1.0 P B:S6G7 4.0 43.5 1.0 C3' B:S6G7 4.0 32.4 1.0 C1' B:S6G6 4.1 39.3 1.0 N1 B:BRU8 4.1 35.2 1.0 C2' B:S6G7 4.1 34.9 1.0 N3 B:BRU8 4.1 31.9 1.0 N4 B:DC9 4.1 41.9 1.0 C2' B:S6G6 4.3 38.3 1.0 C3' B:S6G6 4.4 40.1 1.0 O5' B:S6G7 4.4 42.6 1.0 O5' B:BRU8 4.5 43.3 1.0 P B:BRU8 4.7 43.6 1.0 C2 B:BRU8 4.7 34.9 1.0 N3 B:S6G6 4.7 34.1 1.0 O3' B:S6G7 4.8 37.2 1.0 O4' B:S6G6 4.8 35.4 1.0 C4 B:DC9 4.9 36.2 1.0

A.Ono, T.Atsugi, M.Goto, H.Saneyoshi, T.Tomori, K.Seio, T.Dairaku, J.Kondo. Crystal Structure of A Dna Duplex Cross-Linked By 6-Thioguanine-6-Thioguanine Disulfides: Reversible Formation and Cleavage Catalyzed By Cu(II) Ion and Glutathione Rsc Adv 2019.
ISSN: ESSN 2046-2069