Bromine in PDB 1jpq: Crystal Structure of the Oxytricha Telomeric Dna at 1.6A

The structure of Crystal Structure of the Oxytricha Telomeric Dna at 1.6A, PDB code: 1jpq was solved by S.M.Haider, G.Parkinson, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.00 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	27.543, 27.543, 145.817, 90.00, 90.00, 120.00
R / Rfree (%)	22.9 / 27.6

The structure of Crystal Structure of the Oxytricha Telomeric Dna at 1.6A also contains other interesting chemical elements:

Potassium

(K)

5 atoms

The binding sites of Bromine atom in the Crystal Structure of the Oxytricha Telomeric Dna at 1.6A (pdb code 1jpq). 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 the Oxytricha Telomeric Dna at 1.6A, PDB code: 1jpq:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of the Oxytricha Telomeric Dna at 1.6A


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 the Oxytricha Telomeric Dna at 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1005 b:95.1 occ:1.00 BR A:BRU1005 0.0 95.1 1.0 C5 A:BRU1005 1.9 18.3 1.0 C6 A:BRU1005 2.9 17.3 1.0 C4 A:BRU1005 2.9 18.3 1.0 O A:HOH7103 2.9 41.5 1.0 O4 A:BRU1005 3.1 29.6 1.0 O A:HOH7022 3.5 29.9 1.0 O A:HOH7110 3.9 37.6 1.0 N1 A:BRU1005 4.2 21.5 1.0 N3 A:BRU1005 4.2 17.7 1.0 O4 A:DT1006 4.4 33.5 1.0 C8 A:DG1004 4.4 13.6 1.0 C2' A:DG1004 4.5 32.3 1.0 C7 A:DT1006 4.7 31.3 1.0 C2 A:BRU1005 4.8 17.1 1.0 N7 A:DG1004 5.0 14.5 1.0 O A:HOH7097 5.0 41.5 0.5

Bromine binding site 2 out of 2 in the Crystal Structure of the Oxytricha Telomeric Dna at 1.6A


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 the Oxytricha Telomeric Dna at 1.6A within 5.0Å range: probe atom residue distance (Å) B Occ B:Br2005 b:62.6 occ:1.00 BR B:BRU2005 0.0 62.6 1.0 C5 B:BRU2005 1.9 29.5 1.0 C6 B:BRU2005 2.9 24.2 1.0 C4 B:BRU2005 2.9 24.0 1.0 O4 B:BRU2005 3.2 35.5 1.0 O B:HOH7106 3.3 50.2 1.0 O B:HOH7028 3.4 31.4 1.0 O4 B:DT2006 3.7 26.0 1.0 O B:HOH7093 3.9 36.1 0.5 O A:HOH7121 4.0 32.6 0.5 N1 B:BRU2005 4.2 19.2 1.0 N3 B:BRU2005 4.2 20.6 1.0 O B:HOH7026 4.2 31.9 1.0 C7 B:DT2006 4.3 31.0 1.0 C8 B:DG2004 4.3 18.8 1.0 C4 B:DT2006 4.4 29.4 1.0 N7 B:DG2004 4.7 19.9 1.0 C2 B:BRU2005 4.7 14.3 1.0 C5 B:DT2006 4.8 27.5 1.0 C2' B:DG2004 4.9 33.1 1.0 O A:HOH7013 4.9 25.1 1.0

S.Haider, G.N.Parkinson, S.Neidle. Crystal Structure of the Potassium Form of An Oxytricha Nova G-Quadruplex. J.Mol.Biol. V. 320 189 2002.
ISSN: ISSN 0022-2836
PubMed: 12079378
DOI: 10.1016/S0022-2836(02)00428-X