Bromine in PDB 1aio: Crystal Structure of A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin

The structure of Crystal Structure of A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin, PDB code: 1aio was solved by P.M.Takahara, A.C.Rosenzweig, C.A.Frederick, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	31.270, 35.460, 47.010, 79.81, 84.75, 82.79
R / Rfree (%)	20.6 / 25.1

The structure of Crystal Structure of A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin also contains other interesting chemical elements:

Platinum

(Pt)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin (pdb code 1aio). 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 A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin, PDB code: 1aio:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin


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 A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:27.6 occ:1.00 BR A:BRU3 0.0 27.6 1.0 C5 A:BRU3 1.9 24.0 1.0 C6 A:BRU3 2.8 22.9 1.0 C4 A:BRU3 2.8 24.3 1.0 O4 A:BRU3 3.0 25.4 1.0 C6 A:DC2 3.7 20.7 1.0 C5 A:DC2 3.7 19.5 1.0 N1 A:DC2 3.8 21.6 1.0 C4 A:DC2 3.8 19.8 1.0 C2 A:DC2 3.8 21.1 1.0 N3 A:DC2 3.8 20.8 1.0 N1 A:BRU3 4.0 22.9 1.0 N3 A:BRU3 4.1 23.6 1.0 OP2 A:BRU3 4.1 25.4 1.0 C3' A:DC2 4.2 24.4 1.0 C2' A:DC2 4.2 23.4 1.0 N4 A:DC2 4.4 19.2 1.0 O5' A:BRU3 4.4 24.2 1.0 O2 A:DC2 4.5 21.0 1.0 C1' A:DC2 4.6 22.9 1.0 C2 A:BRU3 4.6 23.6 1.0 N4 A:DC4 4.6 20.5 1.0 C5 A:DC4 4.7 21.5 1.0 P A:BRU3 4.8 26.8 1.0 O3' A:DC2 4.9 26.1 1.0 O5' A:DC2 5.0 23.6 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin


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 A Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin within 5.0Å range: probe atom residue distance (Å) B Occ C:Br27 b:28.4 occ:1.00 BR C:BRU27 0.0 28.4 1.0 C5 C:BRU27 1.8 24.8 1.0 C4 C:BRU27 2.7 24.6 1.0 C6 C:BRU27 2.8 24.7 1.0 O4 C:BRU27 2.9 24.8 1.0 C4 C:DC26 3.6 23.6 1.0 N3 C:DC26 3.7 24.2 1.0 C5 C:DC26 3.7 23.3 1.0 C2 C:DC26 3.7 24.8 1.0 C6 C:DC26 3.7 24.2 1.0 N1 C:DC26 3.7 24.4 1.0 OP2 C:BRU27 3.9 25.7 1.0 N3 C:BRU27 4.0 24.3 1.0 N1 C:BRU27 4.1 25.0 1.0 C3' C:DC26 4.2 26.1 1.0 N4 C:DC26 4.3 24.0 1.0 C2' C:DC26 4.3 25.4 1.0 O2 C:DC26 4.4 25.5 1.0 O5' C:BRU27 4.5 24.7 1.0 C1' C:DC26 4.6 24.8 1.0 C2 C:BRU27 4.6 24.9 1.0 C5 C:DC28 4.8 19.9 1.0 P C:BRU27 4.8 26.7 1.0 N4 C:DC28 4.9 20.0 1.0 O5' C:DC26 4.9 25.4 1.0 O3' C:DC26 5.0 26.4 1.0

P.M.Takahara, A.C.Rosenzweig, C.A.Frederick, S.J.Lippard. Crystal Structure of Double-Stranded Dna Containing the Major Adduct of the Anticancer Drug Cisplatin. Nature V. 377 649 1995.
ISSN: ISSN 0028-0836
PubMed: 7566180
DOI: 10.1038/377649A0