Bromine in PDB 4l26: Crystal Structure of Dna Duplex Containing Consecutive T-T Mispairs (Br-Derivative)

The structure of Crystal Structure of Dna Duplex Containing Consecutive T-T Mispairs (Br-Derivative), PDB code: 4l26 was solved by J.Kondo, T.Yamada, C.Hirose, Y.Tanaka, A.Ono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.94 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	27.360, 39.310, 30.460, 90.00, 99.41, 90.00
R / Rfree (%)	23.2 / 26.6

The binding sites of Bromine atom in the Crystal Structure of Dna Duplex Containing Consecutive T-T Mispairs (Br-Derivative) (pdb code 4l26). 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 Duplex Containing Consecutive T-T Mispairs (Br-Derivative), PDB code: 4l26:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Dna Duplex Containing Consecutive T-T Mispairs (Br-Derivative)


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 Duplex Containing Consecutive T-T Mispairs (Br-Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:21.1 occ:1.00 BR A:CBR3 0.0 21.1 1.0 C5 A:CBR3 1.9 14.1 1.0 C6 A:CBR3 2.9 15.7 1.0 C4 A:CBR3 2.9 15.4 1.0 N4 A:CBR3 3.1 15.7 1.0 O A:HOH137 3.2 26.4 1.0 O A:HOH115 3.4 28.0 1.0 N4 B:DC9 3.6 13.6 1.0 C8 A:DG2 3.6 15.6 1.0 N9 A:DG2 3.6 14.8 1.0 C4 A:DG2 3.9 15.1 1.0 N7 A:DG2 3.9 15.7 1.0 C2' A:DG2 4.0 19.0 1.0 C5 A:DG2 4.1 15.2 1.0 O A:HOH145 4.1 33.7 1.0 N1 A:CBR3 4.1 14.1 1.0 O B:HOH114 4.2 23.7 1.0 C1' A:DG2 4.2 18.2 1.0 N3 A:CBR3 4.2 13.5 1.0 O6 A:DG4 4.2 14.2 1.0 O B:HOH138 4.2 27.3 1.0 C4 B:DC9 4.3 11.0 1.0 N3 A:DG2 4.6 14.4 1.0 C2 A:CBR3 4.7 14.9 1.0 N3 B:DC9 4.9 12.3 1.0 C6 A:DG2 4.9 14.0 1.0 C5 B:DC9 4.9 13.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Dna Duplex Containing Consecutive T-T Mispairs (Br-Derivative)


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 Duplex Containing Consecutive T-T Mispairs (Br-Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br3 b:22.7 occ:1.00 BR B:CBR3 0.0 22.7 1.0 C5 B:CBR3 1.9 16.1 1.0 C6 B:CBR3 2.9 16.0 1.0 C4 B:CBR3 2.9 15.3 1.0 N4 B:CBR3 3.1 15.6 1.0 O B:HOH151 3.2 28.4 1.0 O B:HOH136 3.5 21.2 1.0 N4 A:DC9 3.6 13.6 1.0 N9 B:DG2 3.7 15.2 1.0 C8 B:DG2 3.7 16.2 1.0 O B:HOH144 3.8 31.1 1.0 C2' B:DG2 3.9 18.2 1.0 C4 B:DG2 3.9 15.2 1.0 O A:HOH112 4.0 26.0 1.0 N7 B:DG2 4.0 17.0 1.0 O6 B:DG4 4.1 14.0 1.0 C1' B:DG2 4.1 16.5 1.0 N1 B:CBR3 4.1 15.8 1.0 C5 B:DG2 4.2 15.9 1.0 N3 B:CBR3 4.2 13.7 1.0 C4 A:DC9 4.3 11.7 1.0 O A:HOH160 4.6 31.8 1.0 N3 B:DG2 4.6 15.4 1.0 C2 B:CBR3 4.7 14.7 1.0 C5 A:DC9 4.9 10.9 1.0 N3 A:DC9 4.9 13.8 1.0 C6 B:DG4 5.0 12.1 1.0

J.Kondo, T.Yamada, C.Hirose, I.Okamoto, Y.Tanaka, A.Ono. Crystal Structure of Metallo Dna Duplex Containing Consecutive Watson-Crick-Like T-Hg(II) -T Base Pairs Angew.Chem.Int.Ed.Engl. V. 53 2385 2014.
ISSN: ISSN 1433-7851
PubMed: 24478025
DOI: 10.1002/ANIE.201309066