Bromine in PDB 318d: Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form

The structure of Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form, PDB code: 318d was solved by D.B.Tippin, M.Sundaralingam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	55.680, 55.680, 46.240, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 18

The binding sites of Bromine atom in the Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form (pdb code 318d). 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 Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form, PDB code: 318d:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br8 b:36.1 occ:1.00 BR A:CBR8 0.0 36.1 1.0 C5 A:CBR8 1.9 28.8 1.0 C6 A:CBR8 2.7 31.2 1.0 C4 A:CBR8 2.9 31.7 1.0 N4 A:CBR8 3.1 31.8 1.0 N1 A:DC7 3.6 26.4 1.0 C6 A:DC7 3.7 24.8 1.0 C2 A:DC7 3.7 27.0 1.0 N3 A:DC7 3.8 24.0 1.0 C5 A:DC7 3.8 19.2 1.0 C4 A:DC7 3.8 22.1 1.0 O A:HOH26 3.9 35.9 1.0 OP2 A:CBR8 4.0 35.1 1.0 C2' A:DC7 4.0 30.4 1.0 C3' A:DC7 4.0 31.7 1.0 N1 A:CBR8 4.0 34.4 1.0 O A:HOH106 4.1 65.2 1.0 N3 A:CBR8 4.1 31.6 1.0 O2 A:DC7 4.3 27.7 1.0 O A:HOH105 4.3 73.9 1.0 N7 A:DG9 4.3 37.8 1.0 C1' A:DC7 4.4 30.3 1.0 O5' A:CBR8 4.4 35.4 1.0 O A:HOH84 4.5 62.6 1.0 N4 A:DC7 4.6 20.5 1.0 C2 A:CBR8 4.6 35.8 1.0 P A:CBR8 4.7 37.0 1.0 O A:HOH27 4.7 49.2 1.0 C8 A:DG9 4.8 37.0 1.0 O3' A:DC7 4.8 35.8 1.0

Bromine binding site 2 out of 2 in the Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br18 b:44.7 occ:1.00 BR B:CBR18 0.0 44.7 1.0 C5 B:CBR18 1.8 24.0 1.0 C6 B:CBR18 2.7 29.8 1.0 C4 B:CBR18 2.8 27.6 1.0 N4 B:CBR18 3.0 29.3 1.0 O B:HOH49 3.0 54.1 1.0 C5 B:DC17 3.7 15.7 1.0 C6 B:DC17 3.8 24.8 1.0 C4 B:DC17 3.8 24.8 1.0 OP2 B:CBR18 3.9 39.5 1.0 O B:HOH21 3.9 49.8 1.0 N1 B:CBR18 4.0 28.8 1.0 N1 B:DC17 4.0 23.4 1.0 N3 B:CBR18 4.0 26.3 1.0 N3 B:DC17 4.1 28.1 1.0 O B:HOH43 4.2 55.6 1.0 C2 B:DC17 4.2 24.5 1.0 C3' B:DC17 4.3 37.6 1.0 N4 B:DC17 4.4 27.0 1.0 O5' B:CBR18 4.4 39.8 1.0 C2 B:CBR18 4.5 30.4 1.0 C2' B:DC17 4.6 32.8 1.0 P B:CBR18 4.8 38.1 1.0 C1' B:DC17 4.8 29.2 1.0

D.B.Tippin, M.Sundaralingam. Nine Polymorphic Crystal Structures of D(Ccgggcccgg), D(CCGGGCCM5CGG), D(CM5CGGGCCM5CGG) and D(Ccgggcc(Br)5CGG) in Three Different Conformations: Effects of Spermine Binding and Methylation on the Bending and Condensation of A-Dna. J.Mol.Biol. V. 267 1171 1997.
ISSN: ISSN 0022-2836
PubMed: 9150405
DOI: 10.1006/JMBI.1997.0945