Bromine in PDB 1d9r: Crystal Structure of Dna Sheared Tandem G-A Base Pairs

The structure of Crystal Structure of Dna Sheared Tandem G-A Base Pairs, PDB code: 1d9r was solved by Y.-G.Gao, H.Robinson, R.Sanishvili, A.Joachimiak, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	22.711, 67.216, 72.504, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 27.8

The structure of Crystal Structure of Dna Sheared Tandem G-A Base Pairs also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Bromine atom in the Crystal Structure of Dna Sheared Tandem G-A Base Pairs (pdb code 1d9r). 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 Dna Sheared Tandem G-A Base Pairs, PDB code: 1d9r:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Dna Sheared Tandem G-A Base Pairs


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 Dna Sheared Tandem G-A Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ A:Br6 b:40.3 occ:1.00 BR A:BRU6 0.0 40.3 1.0 C5 A:BRU6 1.9 23.1 1.0 C6 A:BRU6 2.8 23.0 1.0 C4 A:BRU6 2.9 23.1 1.0 O4 A:BRU6 3.1 31.2 1.0 C8 A:DA5 3.5 20.6 1.0 O A:HOH1020 3.6 49.9 1.0 N1 A:DG7 3.6 26.2 1.0 O6 A:DG7 3.6 44.6 1.0 N7 A:DA5 3.6 28.9 1.0 O A:HOH1036 3.7 38.7 1.0 O A:HOH1103 3.7 51.9 1.0 C6 A:DG7 3.8 26.7 1.0 N9 A:DA5 4.0 26.9 1.0 O A:HOH1021 4.0 30.1 1.0 O A:HOH1039 4.1 43.7 1.0 O A:HOH1062 4.1 61.8 1.0 N3 A:BRU6 4.1 21.1 1.0 N1 A:BRU6 4.2 23.7 1.0 C5 A:DA5 4.2 20.6 1.0 C2' A:DA5 4.3 29.3 1.0 O A:HOH1031 4.3 60.1 1.0 C2 A:DG7 4.4 27.4 1.0 C4 A:DA5 4.4 21.9 1.0 C1' A:DA5 4.6 26.0 1.0 C5 A:DG7 4.7 25.5 1.0 C2 A:BRU6 4.7 21.2 1.0 N2 A:DG7 4.8 32.0 1.0 O A:HOH1065 4.8 47.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Dna Sheared Tandem G-A Base Pairs


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 Dna Sheared Tandem G-A Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ B:Br16 b:35.2 occ:1.00 BR B:BRU16 0.0 35.2 1.0 C5 B:BRU16 1.9 20.5 1.0 C6 B:BRU16 2.8 21.5 1.0 C4 B:BRU16 2.9 25.7 1.0 O4 B:BRU16 3.1 28.2 1.0 C8 B:DA15 3.4 22.9 1.0 O6 B:DG17 3.5 24.1 1.0 C6 B:DG17 3.6 24.7 1.0 O B:HOH1027 3.6 46.5 1.0 N7 B:DA15 3.7 29.2 1.0 N1 B:DG17 3.7 21.2 1.0 N9 B:DA15 3.9 26.9 1.0 O B:HOH1060 3.9 57.5 1.0 N3 B:BRU16 4.1 24.4 1.0 N1 B:BRU16 4.1 31.2 1.0 C2' B:DA15 4.1 36.6 1.0 C5 B:DG17 4.2 21.6 1.0 C5 B:DA15 4.4 27.2 1.0 O B:HOH1066 4.5 45.7 1.0 C2 B:DG17 4.5 19.5 1.0 C1' B:DA15 4.5 38.2 1.0 C4 B:DA15 4.5 23.6 1.0 O B:HOH1046 4.6 34.3 1.0 C2 B:BRU16 4.7 31.2 1.0 C4 B:DG17 4.8 21.0 1.0 N7 B:DG17 4.9 26.1 1.0 N3 B:DG17 5.0 18.9 1.0

Y.G.Gao, H.Robinson, R.Sanishvili, A.Joachimiak, A.H.Wang. Structure and Recognition of Sheared Tandem G X A Base Pairs Associated with Human Centromere Dna Sequence at Atomic Resolution. Biochemistry V. 38 16452 1999.
ISSN: ISSN 0006-2960
PubMed: 10600106
DOI: 10.1021/BI9914614