Bromine in PDB 1vtf: Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine

The structure of Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine, PDB code: 1vtf was solved by E.Westhof, M.V.Hosur, M.Sundaralingam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	4.50 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	17.900, 17.900, 44.500, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Bromine atom in the Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine (pdb code 1vtf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine, PDB code: 1vtf:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:24.7 occ:1.00 BR A:CBR1 0.0 24.7 1.0 C5 A:CBR1 1.8 13.6 1.0 C4 A:CBR1 2.7 13.5 1.0 C6 A:CBR1 2.8 11.7 1.0 N4 A:CBR1 2.9 15.2 1.0 N3 A:CBR1 4.0 11.1 1.0 N4 B:CBR7 4.0 12.3 1.0 N1 A:CBR1 4.0 12.8 1.0 O6 A:DG2 4.2 13.6 1.0 C4 B:CBR7 4.3 13.7 1.0 C2 A:CBR1 4.5 12.6 1.0 C5 B:CBR7 4.6 11.6 1.0 O5' A:CBR1 4.6 2.0 1.0 BR B:CBR7 4.6 15.9 1.0 N3 B:CBR7 5.0 11.4 1.0

Bromine binding site 2 out of 4 in the Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:17.3 occ:1.00 BR A:CBR3 0.0 17.3 1.0 C5 A:CBR3 1.8 13.5 1.0 C4 A:CBR3 2.7 8.7 1.0 C6 A:CBR3 2.8 8.8 1.0 C2' A:DG2 2.9 10.8 1.0 N4 A:CBR3 3.0 8.8 1.0 N3 A:DG2 3.6 14.2 1.0 C4 A:DG2 3.6 10.5 1.0 N9 A:DG2 3.6 7.4 1.0 C1' A:DG2 3.8 8.8 1.0 C3' A:DG2 3.8 11.1 1.0 N4 B:CBR5 4.0 14.6 1.0 N1 A:CBR3 4.0 2.7 1.0 N3 A:CBR3 4.0 11.3 1.0 C2 A:DG2 4.2 13.9 1.0 C5 A:DG2 4.2 10.6 1.0 C8 A:DG2 4.3 12.6 1.0 O6 A:DG4 4.3 15.9 1.0 C4 B:CBR5 4.4 14.4 1.0 O3' A:DG2 4.5 11.9 1.0 C2 A:CBR3 4.6 6.5 1.0 N7 A:DG2 4.7 14.2 1.0 C5 B:CBR5 4.7 12.8 1.0 O4' A:DG2 4.7 2.0 1.0 O5' A:CBR3 4.7 5.2 1.0 BR B:CBR5 4.8 24.6 1.0 N1 A:DG2 4.8 12.6 1.0 N2 A:DG2 4.9 11.8 1.0 C6 A:DG2 4.9 13.2 1.0 C4' A:DG2 5.0 7.2 1.0

Bromine binding site 3 out of 4 in the Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br5 b:24.6 occ:1.00 BR B:CBR5 0.0 24.6 1.0 C5 B:CBR5 1.8 12.8 1.0 C4 B:CBR5 2.7 14.4 1.0 C6 B:CBR5 2.8 14.9 1.0 N4 B:CBR5 2.9 14.6 1.0 N15 B:PRL9 3.5 11.5 1.0 N4 A:CBR3 3.8 8.8 1.0 C3 B:PRL9 3.8 13.4 1.0 N3 B:CBR5 4.0 13.2 1.0 C4 B:PRL9 4.0 15.4 1.0 N1 B:CBR5 4.1 15.2 1.0 C4 A:CBR3 4.4 8.7 1.0 C2 B:CBR5 4.6 14.6 1.0 C2 B:PRL9 4.7 12.0 1.0 BR A:CBR3 4.8 17.3 1.0 C5 A:CBR3 4.8 13.5 1.0 C11 B:PRL9 4.9 16.1 1.0

Bromine binding site 4 out of 4 in the Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of 5'-D(*(Bro)Cp*Gp*(Bro)Cp*G)-3' in Complex with Proflavine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br7 b:15.9 occ:1.00 BR B:CBR7 0.0 15.9 1.0 C5 B:CBR7 1.8 11.6 1.0 C4 B:CBR7 2.7 13.7 1.0 C6 B:CBR7 2.8 12.2 1.0 N4 B:CBR7 2.9 12.3 1.0 N9 B:DG6 3.8 5.3 1.0 C4 B:DG6 3.9 6.5 1.0 N4 A:CBR1 4.0 15.2 1.0 C8 B:DG6 4.0 8.9 1.0 C5 B:DG6 4.0 7.1 1.0 N3 B:CBR7 4.0 11.4 1.0 N1 B:CBR7 4.0 12.8 1.0 N7 B:DG6 4.1 5.1 1.0 C2' B:DG6 4.1 5.3 1.0 N3 B:DG6 4.4 6.1 1.0 C4 A:CBR1 4.5 13.5 1.0 C1' B:DG6 4.5 4.3 1.0 C2 B:CBR7 4.5 13.4 1.0 C6 B:DG6 4.6 9.2 1.0 BR A:CBR1 4.6 24.7 1.0 O6 B:DG8 4.7 13.0 1.0 C2 B:DG6 4.9 4.4 1.0 N1 B:DG6 5.0 8.7 1.0

E.Westhof, M.V.Hosur, M.Sundaralingam. Nonintercalative Binding of Proflavin to Z-Dna: Structure of A Complex Between D(5BRC-G-5BRC-G) and Proflavin. Biochemistry V. 27 5742 1988.
ISSN: ISSN 0006-2960
PubMed: 3179273