Bromine in PDB 319d: Crystal Structures of D(Ccggg(Br)5CCCGG)-Orthogonal Form

The structure of Crystal Structures of D(Ccggg(Br)5CCCGG)-Orthogonal Form, PDB code: 319d 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 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.360, 44.290, 48.050, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 17.2

The binding sites of Bromine atom in the Crystal Structures of D(Ccggg(Br)5CCCGG)-Orthogonal Form (pdb code 319d). 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(Ccggg(Br)5CCCGG)-Orthogonal Form, PDB code: 319d:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structures of D(Ccggg(Br)5CCCGG)-Orthogonal 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(Ccggg(Br)5CCCGG)-Orthogonal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br6 b:46.4 occ:1.00 BR A:CBR6 0.0 46.4 1.0 C5 A:CBR6 1.9 27.4 1.0 C6 A:CBR6 2.8 30.2 1.0 C4 A:CBR6 2.9 23.8 1.0 N4 A:CBR6 3.1 16.4 1.0 O A:HOH34 3.6 35.9 1.0 N7 A:DG5 3.7 21.7 1.0 C8 A:DG5 3.8 27.6 1.0 C5 A:DG5 3.8 22.9 1.0 C4 A:DG5 3.9 22.6 1.0 OP2 A:CBR6 3.9 31.4 1.0 N9 A:DG5 3.9 26.7 1.0 C5 A:DC7 4.0 23.4 1.0 O A:HOH32 4.0 43.3 1.0 O A:HOH58 4.0 47.5 1.0 C3' A:DG5 4.0 28.7 1.0 N1 A:CBR6 4.1 30.2 1.0 O A:HOH111 4.1 47.7 1.0 N3 A:CBR6 4.1 22.0 1.0 O5' A:CBR6 4.3 33.3 1.0 C2' A:DG5 4.4 28.0 1.0 C6 A:DG5 4.5 21.5 1.0 N4 A:DC7 4.5 20.8 1.0 C4 A:DC7 4.5 25.4 1.0 N3 A:DG5 4.6 22.6 1.0 O A:HOH100 4.6 48.1 1.0 P A:CBR6 4.6 30.6 1.0 C2 A:CBR6 4.7 25.6 1.0 C1' A:DG5 4.7 28.7 1.0 C6 A:DC7 4.7 26.6 1.0 O3' A:DG5 4.8 32.5 1.0 N1 A:DG5 5.0 22.6 1.0

Bromine binding site 2 out of 2 in the Crystal Structures of D(Ccggg(Br)5CCCGG)-Orthogonal 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(Ccggg(Br)5CCCGG)-Orthogonal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Br16 b:41.5 occ:1.00 BR B:CBR16 0.0 41.5 1.0 C5 B:CBR16 1.9 35.1 1.0 C6 B:CBR16 2.7 35.8 1.0 C4 B:CBR16 2.9 32.1 1.0 N4 B:CBR16 3.1 26.1 1.0 O B:HOH54 3.6 40.2 1.0 O B:HOH91 3.7 47.8 1.0 N7 B:DG15 3.7 29.1 1.0 OP2 B:CBR16 3.7 45.4 1.0 C8 B:DG15 3.7 29.7 1.0 O B:HOH92 3.7 50.5 1.0 O B:HOH33 3.8 44.5 1.0 O B:HOH36 3.9 44.3 1.0 N1 B:CBR16 4.0 32.4 1.0 N3 B:CBR16 4.1 28.2 1.0 C5 B:DG15 4.2 25.6 1.0 O B:HOH41 4.2 45.2 1.0 N9 B:DG15 4.2 32.3 1.0 O5' B:CBR16 4.4 39.9 1.0 O B:HOH110 4.4 56.9 1.0 C3' B:DG15 4.4 37.4 1.0 C4 B:DG15 4.5 28.8 1.0 O5' B:DG15 4.5 32.0 1.0 P B:CBR16 4.6 41.4 1.0 C2 B:CBR16 4.6 29.6 1.0 OP2 B:DG15 4.7 27.6 1.0 C6 B:DG15 4.9 23.0 1.0 C2' B:DG15 4.9 33.9 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