Bromine in PDB 6lbw: Crystal Structure of Ag-Mediated Base Pairs in Uncanonical Dna Duplex

The structure of Crystal Structure of Ag-Mediated Base Pairs in Uncanonical Dna Duplex, PDB code: 6lbw was solved by H.A.Aoyama, S.O.Obika, O.N.Nakagawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.06 / 1.50
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	28.560, 68.110, 118.850, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.3

The structure of Crystal Structure of Ag-Mediated Base Pairs in Uncanonical Dna Duplex also contains other interesting chemical elements:

Silver

(Ag)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of Ag-Mediated Base Pairs in Uncanonical Dna Duplex (pdb code 6lbw). 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 Ag-Mediated Base Pairs in Uncanonical Dna Duplex, PDB code: 6lbw:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Ag-Mediated Base Pairs in Uncanonical Dna Duplex


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 Ag-Mediated Base Pairs in Uncanonical Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:34.2 occ:1.00 BR A:CBR3 0.0 34.2 1.0 C5 A:CBR3 1.9 24.0 1.0 C4 A:CBR3 2.9 24.8 1.0 C6 A:CBR3 2.9 23.4 1.0 N4 A:CBR3 3.0 25.5 1.0 O A:HOH214 3.5 26.0 1.0 N4 B:DC8 3.6 20.2 1.0 O B:HOH131 3.6 26.6 1.0 N9 A:DG2 3.7 24.3 1.0 C4 A:DG2 3.7 25.8 1.0 C8 A:DG2 3.7 26.2 1.0 C5 A:DG2 3.8 24.8 1.0 N7 A:DG2 3.8 27.0 1.0 O2' B:LCC6 3.8 24.0 1.0 N3 B:DA5 3.9 27.2 1.0 C6' B:LCC6 4.0 26.6 1.0 C2 B:DA5 4.0 15.1 1.0 C2' A:DG2 4.1 21.9 1.0 N1 A:CBR3 4.1 19.1 1.0 N3 A:CBR3 4.1 21.8 1.0 C1' B:LCC6 4.1 21.9 1.0 O6 A:DG4 4.2 22.7 1.0 C4 B:DC8 4.3 20.6 1.0 N3 A:DG2 4.3 25.4 1.0 C1' A:DG2 4.3 26.9 1.0 C6 A:DG2 4.4 27.3 1.0 O4' B:LCC6 4.5 24.9 1.0 O2 B:LCC6 4.6 23.6 1.0 C2 A:CBR3 4.6 21.9 1.0 C2' B:LCC6 4.7 22.8 1.0 N3 B:DC8 4.7 16.8 1.0 C2 A:DG2 4.8 24.2 1.0 N1 A:DG2 4.9 23.9 1.0 C4' B:LCC6 5.0 26.0 1.0 C5 B:DC8 5.0 22.2 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Ag-Mediated Base Pairs in Uncanonical Dna Duplex


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 Ag-Mediated Base Pairs in Uncanonical Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Br3 b:35.9 occ:1.00 BR B:CBR3 0.0 35.9 1.0 C5 B:CBR3 1.9 24.2 1.0 C6 B:CBR3 2.9 19.2 1.0 C4 B:CBR3 2.9 22.6 1.0 N4 B:CBR3 3.1 29.1 1.0 O A:HOH219 3.3 27.2 1.0 O B:HOH129 3.6 23.1 1.0 N9 B:DG2 3.6 24.7 1.0 O2' A:LCC6 3.7 23.0 1.0 C4 B:DG2 3.7 27.5 1.0 C8 B:DG2 3.8 28.1 1.0 N4 A:DC8 3.8 16.3 1.0 C5 B:DG2 3.8 25.1 1.0 C6' A:LCC6 3.9 27.0 1.0 N7 B:DG2 3.9 24.9 1.0 N3 A:DA5 3.9 23.1 1.0 C2' B:DG2 3.9 23.4 1.0 C1' A:LCC6 4.0 23.6 1.0 N1 B:CBR3 4.1 18.8 1.0 C2 A:DA5 4.1 17.5 1.0 N3 B:CBR3 4.2 20.1 1.0 O6 B:DG4 4.2 20.3 1.0 N3 B:DG2 4.3 22.0 1.0 C1' B:DG2 4.3 25.1 1.0 O4' A:LCC6 4.3 29.7 1.0 C6 B:DG2 4.5 24.1 1.0 C4 A:DC8 4.5 19.7 1.0 C2' A:LCC6 4.5 25.3 1.0 O2 A:LCC6 4.6 27.3 1.0 C2 B:CBR3 4.7 21.1 1.0 C2 B:DG2 4.8 18.2 1.0 C4' A:LCC6 4.8 28.2 1.0 N1 B:DG2 4.9 19.1 1.0

H.A.Aoyama, S.O.Obika, O.N.Nakagawa. Crystal Structure of Ag-Mediated Base Pairs in Uncanonical Dna Duplex To Be Published.