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

Protein crystallography data

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

Other elements in 1aio:

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

Bromine Binding Sites:

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 1aio

Go back to Bromine Binding Sites List in 1aio
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 1aio

Go back to Bromine Binding Sites List in 1aio
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

Reference:

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
Page generated: Sat Dec 12 01:59:34 2020

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