Bromine in PDB 1p54: Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions

The structure of Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions, PDB code: 1p54 was solved by F.A.Hays, J.M.Vargason, P.S.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.18 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.840, 22.580, 38.070, 90.00, 106.78, 90.00
R / Rfree (%)	21.5 / 24.2

The structure of Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Bromine atom in the Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions (pdb code 1p54). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions, PDB code: 1p54:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions within 5.0Å range: probe atom residue distance (Å) B Occ A:Br8 b:9.4 occ:1.00 BR A:BRU8 0.0 9.4 1.0 C5 A:BRU8 1.8 8.3 1.0 C4 A:BRU8 2.8 7.7 1.0 C6 A:BRU8 2.8 7.1 1.0 O4 A:BRU8 3.0 1.9 1.0 OP2 A:DC7 3.0 3.9 1.0 O A:HOH90 3.1 15.0 1.0 C2' A:DC7 3.4 2.5 1.0 O5' A:DC7 3.6 2.8 1.0 O A:HOH77 3.7 9.2 1.0 O A:HOH26 3.8 1.0 1.0 C6 A:DC7 3.9 1.7 1.0 N1 A:DC7 3.9 4.2 1.0 P A:DC7 3.9 3.2 1.0 N3 A:BRU8 4.0 1.3 1.0 N1 A:BRU8 4.1 7.6 1.0 C1' A:DC7 4.2 1.4 1.0 C5 A:DC7 4.3 1.0 1.0 C2 A:DC7 4.3 2.5 1.0 C3' A:DC7 4.3 1.2 1.0 O A:HOH64 4.5 16.5 1.0 C2 A:BRU8 4.6 6.5 1.0 C4 A:DC7 4.6 3.2 1.0 N3 A:DC7 4.7 1.0 1.0 O4' A:DC7 4.8 2.5 1.0 C5' A:DC7 4.8 1.0 1.0 OP1 A:DC7 4.8 3.0 1.0 O2 A:DC7 4.9 1.5 1.0 C4' A:DC7 5.0 2.2 1.0

Bromine binding site 2 out of 2 in the Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Effect of Sequence on the Conformational Geometry of Dna Holliday Junctions within 5.0Å range: probe atom residue distance (Å) B Occ B:Br18 b:12.4 occ:1.00 BR B:BRU18 0.0 12.4 1.0 C5 B:BRU18 1.8 14.1 1.0 C4 B:BRU18 2.8 13.2 1.0 C6 B:BRU18 2.8 11.1 1.0 O4 B:BRU18 3.0 14.6 1.0 C2' B:DC17 3.4 16.3 1.0 O A:HOH88 3.6 29.2 1.0 O B:HOH89 3.6 5.5 1.0 O B:HOH28 3.9 10.6 1.0 C6 B:DC17 4.0 14.6 1.0 N3 B:BRU18 4.0 14.0 1.0 O B:HOH60 4.0 31.9 1.0 N1 B:BRU18 4.1 15.7 1.0 N1 B:DC17 4.1 13.9 1.0 N4 A:DC2 4.1 3.1 1.0 C3' B:DC17 4.2 16.6 1.0 C1' B:DC17 4.2 15.0 1.0 C5' B:DC17 4.5 18.5 1.0 C5 B:DC17 4.6 11.5 1.0 C2 B:BRU18 4.6 13.7 1.0 O4' B:DC17 4.6 16.3 1.0 C4' B:DC17 4.7 18.6 1.0 C2 B:DC17 4.7 14.5 1.0

F.A.Hays, J.M.Vargason, P.S.Ho. Effect of Sequence on the Conformation of Dna Holliday Junctions Biochemistry V. 42 9586 2003.
ISSN: ISSN 0006-2960
PubMed: 12911300
DOI: 10.1021/BI0346603