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

Protein crystallography data

The structure of Crystal Structure of Dna Sheared Tandem G-A Base Pairs, PDB code: 1dcr 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) 20.00 / 1.60
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 20.950, 61.860, 68.490, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 26.6

Other elements in 1dcr:

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

Magnesium (Mg) 3 atoms
Sodium (Na) 1 atom

Bromine Binding Sites:

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

Bromine binding site 1 out of 2 in 1dcr

Go back to Bromine Binding Sites List in 1dcr
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:34.0
occ:1.00
BR A:BRU6 0.0 34.0 1.0
C5 A:BRU6 1.9 19.1 1.0
C6 A:BRU6 2.8 22.8 1.0
C4 A:BRU6 2.9 18.5 1.0
O4 A:BRU6 3.2 30.0 1.0
C8 A:DA5 3.5 24.6 1.0
O6 A:DG7 3.7 30.3 1.0
N1 A:DG7 3.7 30.6 1.0
N7 A:DA5 3.8 22.3 1.0
C6 A:DG7 3.8 31.4 1.0
O A:HOH1042 3.8 49.2 0.5
O A:HOH1013 3.9 43.2 1.0
N9 A:DA5 3.9 24.6 1.0
O A:HOH1069 4.0 40.1 0.5
C2' A:DA5 4.1 33.6 1.0
N1 A:BRU6 4.1 28.6 1.0
N3 A:BRU6 4.2 24.4 1.0
O A:HOH1075 4.3 36.2 0.5
C5 A:DA5 4.5 22.8 1.0
C1' A:DA5 4.5 25.2 1.0
C4 A:DA5 4.5 24.4 1.0
C2 A:DG7 4.6 20.8 1.0
C2 A:BRU6 4.7 35.4 1.0
C5 A:DG7 4.8 27.6 1.0
O B:HOH1056 4.8 32.8 0.5
N2 A:DG7 4.9 27.9 1.0

Bromine binding site 2 out of 2 in 1dcr

Go back to Bromine Binding Sites List in 1dcr
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:34.1
occ:1.00
BR B:BRU16 0.0 34.1 1.0
C5 B:BRU16 1.9 32.3 1.0
C6 B:BRU16 2.8 17.3 1.0
C4 B:BRU16 2.9 27.6 1.0
O4 B:BRU16 3.0 30.8 1.0
C8 B:DA15 3.5 20.4 1.0
O6 B:DG17 3.6 35.9 1.0
N1 B:DG17 3.7 26.6 1.0
O B:HOH1009 3.7 34.5 1.0
N7 B:DA15 3.7 30.1 1.0
N9 B:DA15 3.7 21.9 1.0
C6 B:DG17 3.8 29.5 1.0
N1 B:BRU16 4.1 25.9 1.0
N3 B:BRU16 4.1 25.9 1.0
C2' B:DA15 4.1 28.2 1.0
C5 B:DA15 4.2 29.0 1.0
C4 B:DA15 4.2 24.8 1.0
C1' B:DA15 4.5 23.5 1.0
C2 B:DG17 4.5 29.7 1.0
NA B:NA25 4.6 55.9 1.0
C2 B:BRU16 4.7 27.1 1.0
C5 B:DG17 4.7 28.4 1.0
N2 B:DG17 4.9 29.3 1.0
O B:HOH1068 4.9 34.8 0.5
O B:HOH1032 5.0 47.7 1.0

Reference:

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
Page generated: Sat Dec 12 01:59:49 2020

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