Bromine in PDB 1f6j: Crystal Structure of the E-Dna Hexamer GGCGBR5CC

The structure of Crystal Structure of the E-Dna Hexamer GGCGBR5CC, PDB code: 1f6j was solved by J.M.Vargason, B.F.Eichman, P.S.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.400, 60.400, 24.704, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 25.6

The binding sites of Bromine atom in the Crystal Structure of the E-Dna Hexamer GGCGBR5CC (pdb code 1f6j). 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 the E-Dna Hexamer GGCGBR5CC, PDB code: 1f6j:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of the E-Dna Hexamer GGCGBR5CC


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 the E-Dna Hexamer GGCGBR5CC within 5.0Å range: probe atom residue distance (Å) B Occ A:Br5 b:47.3 occ:1.00 BR A:CBR5 0.0 47.3 1.0 C5 A:CBR5 1.9 34.9 1.0 C6 A:CBR5 2.8 37.0 1.0 C4 A:CBR5 2.8 37.5 1.0 N4 A:CBR5 3.0 43.3 1.0 C5 A:DG4 3.7 25.6 1.0 C4 A:DG4 3.7 25.1 1.0 OP2 A:CBR5 3.8 49.9 1.0 N9 A:DG4 3.9 27.4 1.0 N7 A:DG4 4.0 28.4 1.0 C8 A:DG4 4.1 25.3 1.0 C3' A:DG4 4.1 40.7 1.0 N1 A:CBR5 4.1 38.4 1.0 N3 A:CBR5 4.1 35.5 1.0 N3 A:DG4 4.1 27.4 1.0 C6 A:DG4 4.1 27.1 1.0 O5' A:CBR5 4.2 47.5 1.0 C2' A:DG4 4.3 35.1 1.0 N1 A:DG4 4.4 26.0 1.0 C2 A:DG4 4.4 25.4 1.0 C5 A:DC6 4.5 31.5 1.0 P A:CBR5 4.6 44.0 1.0 C2 A:CBR5 4.6 34.1 1.0 C1' A:DG4 4.7 31.8 1.0 O6 A:DG4 4.8 26.0 1.0 N4 A:DC6 4.8 31.5 1.0 O3' A:DG4 4.9 46.4 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of the E-Dna Hexamer GGCGBR5CC


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 the E-Dna Hexamer GGCGBR5CC within 5.0Å range: probe atom residue distance (Å) B Occ B:Br11 b:34.9 occ:1.00 BR B:CBR11 0.0 34.9 1.0 C5 B:CBR11 1.9 25.8 1.0 C6 B:CBR11 2.8 26.5 1.0 C4 B:CBR11 2.8 26.5 1.0 N4 B:CBR11 3.0 25.6 1.0 O B:HOH37 3.5 75.4 1.0 C5 B:DG10 3.7 23.1 1.0 N7 B:DG10 3.8 25.3 1.0 C4 B:DG10 3.8 24.1 1.0 C8 B:DG10 3.8 23.3 1.0 N9 B:DG10 3.9 26.4 1.0 OP2 B:CBR11 3.9 23.9 1.0 O B:HOH18 4.0 39.2 1.0 C2' B:DG10 4.1 24.7 1.0 O B:HOH19 4.1 34.3 1.0 N3 B:CBR11 4.1 26.1 1.0 N1 B:CBR11 4.1 24.8 1.0 O B:HOH39 4.1 68.6 1.0 C3' B:DG10 4.2 26.7 1.0 C6 B:DG10 4.3 25.2 1.0 N3 B:DG10 4.4 21.6 1.0 O5' B:CBR11 4.5 22.3 1.0 C1' B:DG10 4.6 25.7 1.0 C2 B:CBR11 4.6 25.7 1.0 N1 B:DG10 4.8 23.0 1.0 P B:CBR11 4.8 23.9 1.0 C2 B:DG10 4.8 21.6 1.0 O6 B:DG10 4.9 31.8 1.0 N4 B:DC12 4.9 22.8 1.0

J.M.Vargason, B.F.Eichman, P.S.Ho. The Extended and Eccentric E-Dna Structure Induced By Cytosine Methylation or Bromination. Nat.Struct.Biol. V. 7 758 2000.
ISSN: ISSN 1072-8368
PubMed: 10966645
DOI: 10.1038/78985