Bromine in PDB 1sm5: Crystal Structure of A Dna Decamer Containing A Thymine- Dimer

The structure of Crystal Structure of A Dna Decamer Containing A Thymine- Dimer, PDB code: 1sm5 was solved by H.Park, K.Zhang, Y.Ren, S.Nadji, N.Sinha, J.-S.Taylor, C.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.500, 53.850, 75.330, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25.4

The binding sites of Bromine atom in the Crystal Structure of A Dna Decamer Containing A Thymine- Dimer (pdb code 1sm5). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of A Dna Decamer Containing A Thymine- Dimer, PDB code: 1sm5:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of A Dna Decamer Containing A Thymine- Dimer


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 Decamer Containing A Thymine- Dimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:50.0 occ:1.00 BR A:BRU3 0.0 50.0 1.0 C5 A:BRU3 1.9 40.2 1.0 C6 A:BRU3 2.8 39.7 1.0 C4 A:BRU3 3.0 39.2 1.0 O4 A:BRU3 3.4 36.4 1.0 C2' A:DC2 3.5 36.0 1.0 C6 A:DC2 3.7 29.6 1.0 O A:HOH206 3.7 17.0 1.0 N1 A:DC2 3.9 31.0 1.0 C5 A:DC2 4.0 27.5 1.0 N1 A:BRU3 4.2 38.0 1.0 O4 A:DT4 4.3 29.0 1.0 N3 A:BRU3 4.3 38.2 1.0 C1' A:DC2 4.3 33.4 1.0 C2 A:DC2 4.3 29.8 1.0 C4 A:DC2 4.5 26.0 1.0 C3' A:DC2 4.5 38.0 1.0 OP2 A:BRU3 4.5 39.2 1.0 N3 A:DC2 4.6 26.8 1.0 C7 A:DT4 4.8 29.1 1.0 C2 A:BRU3 4.8 37.8 1.0 C4 A:DT4 4.9 30.3 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of A Dna Decamer Containing A Thymine- Dimer


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 Decamer Containing A Thymine- Dimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Br8 b:46.4 occ:1.00 BR A:BRU8 0.0 46.4 1.0 C5 A:BRU8 1.9 38.5 1.0 C6 A:BRU8 2.9 39.1 1.0 C4 A:BRU8 2.9 37.0 1.0 O4 A:BRU8 3.2 35.0 1.0 C6 A:DT7 3.8 26.6 1.0 C5 A:DT7 4.0 27.0 1.0 C7 A:DT7 4.1 28.1 1.0 N1 A:BRU8 4.2 36.9 1.0 N3 A:BRU8 4.2 35.2 1.0 C2' A:DT7 4.2 31.9 1.0 N1 A:DT7 4.4 29.3 1.0 N4 A:DC9 4.4 20.5 1.0 C4 A:DT7 4.7 28.4 1.0 C2 A:BRU8 4.8 36.4 1.0 C1' A:DT7 4.9 32.1 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of A Dna Decamer Containing A Thymine- Dimer


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of A Dna Decamer Containing A Thymine- Dimer within 5.0Å range: probe atom residue distance (Å) B Occ C:Br3 b:46.6 occ:1.00 BR C:BRU3 0.0 46.6 1.0 C5 C:BRU3 1.8 38.5 1.0 C6 C:BRU3 2.7 36.9 1.0 C4 C:BRU3 2.8 37.0 1.0 O4 C:BRU3 3.1 35.8 1.0 C6 C:DC2 3.8 34.9 1.0 N1 C:BRU3 3.9 36.4 1.0 N1 C:DC2 4.0 36.1 1.0 N3 C:BRU3 4.0 33.5 1.0 C5 C:DC2 4.0 34.2 1.0 C3' C:DC2 4.2 37.0 1.0 O4 C:DT4 4.3 34.8 1.0 C7 C:DT4 4.3 35.2 1.0 OP2 C:BRU3 4.3 40.8 1.0 C2 C:DC2 4.3 34.8 1.0 C2' C:DC2 4.3 35.5 1.0 C4 C:DC2 4.4 33.4 1.0 N3 C:DC2 4.5 33.5 1.0 C2 C:BRU3 4.5 33.9 1.0 C1' C:DC2 4.7 35.6 1.0 C4 C:DT4 4.8 33.7 1.0 C5 C:DT4 4.9 35.5 1.0 O2 C:DC2 4.9 33.8 1.0 O5' C:BRU3 4.9 38.6 1.0 O3' C:DC2 5.0 37.5 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of A Dna Decamer Containing A Thymine- Dimer


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of A Dna Decamer Containing A Thymine- Dimer within 5.0Å range: probe atom residue distance (Å) B Occ C:Br8 b:43.1 occ:1.00 BR C:BRU8 0.0 43.1 1.0 C5 C:BRU8 1.9 33.5 1.0 C6 C:BRU8 2.8 32.6 1.0 C4 C:BRU8 2.9 31.8 1.0 O4 C:BRU8 3.2 30.8 1.0 O C:HOH207 3.8 33.7 1.0 C2' C:DT7 3.9 37.0 1.0 N4 C:DC9 3.9 31.6 1.0 C6 C:DT7 4.0 32.3 1.0 N1 C:BRU8 4.1 32.8 1.0 N3 C:BRU8 4.2 29.6 1.0 C5 C:DT7 4.2 31.0 1.0 OP2 C:BRU8 4.3 35.7 1.0 N1 C:DT7 4.4 33.6 1.0 C7 C:DT7 4.5 30.4 1.0 C4 C:DC9 4.6 28.1 1.0 C2 C:BRU8 4.7 31.2 1.0 C4 C:DT7 4.7 30.6 1.0 C5 C:DC9 4.8 26.9 1.0 C1' C:DT7 4.8 35.0 1.0 C2 C:DT7 5.0 31.2 1.0

H.Park, K.Zhang, Y.Ren, S.Nadji, N.Sinha, J.-S.Taylor, C.Kang. Crystal Structure of A Dna Decamer Containing A Thymine-Dimer Proc.Natl.Acad.Sci.Usa V. 99 15965 2002.
ISSN: ISSN 0027-8424
PubMed: 12456887
DOI: 10.1073/PNAS.242422699