Bromine in PDB 365d: Structural Basis For G C Recognition in the Dna Minor Groove

The structure of Structural Basis For G C Recognition in the Dna Minor Groove, PDB code: 365d was solved by C.L.Kielkopf, E.E.Baird, P.B.Dervan, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.396, 38.959, 44.421, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 26

The binding sites of Bromine atom in the Structural Basis For G C Recognition in the Dna Minor Groove (pdb code 365d). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structural Basis For G C Recognition in the Dna Minor Groove, PDB code: 365d:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structural Basis For G C Recognition in the Dna Minor Groove


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structural Basis For G C Recognition in the Dna Minor Groove within 5.0Å range: probe atom residue distance (Å) B Occ A:Br6 b:40.5 occ:1.00 BR A:CBR6 0.0 40.5 1.0 C5 A:CBR6 1.8 38.4 1.0 C6 A:CBR6 2.8 37.5 1.0 C4 A:CBR6 2.9 38.2 1.0 N4 A:CBR6 3.1 30.6 1.0 O A:HOH51 3.4 47.5 1.0 O A:HOH61 3.5 54.8 1.0 O A:HOH49 3.6 46.9 1.0 C2' A:DG5 3.7 37.7 1.0 O A:HOH40 3.8 37.3 1.0 N4 A:DC7 3.9 36.7 1.0 O6 B:DG14 4.0 35.7 1.0 N1 A:CBR6 4.1 41.6 1.0 C8 A:DG5 4.1 33.4 1.0 N9 A:DG5 4.1 32.6 1.0 O A:HOH41 4.1 68.2 1.0 O B:HOH58 4.1 44.5 1.0 N3 A:CBR6 4.2 41.4 1.0 C1' A:DG5 4.4 33.7 1.0 N7 A:DG5 4.5 35.6 1.0 C4 A:DG5 4.6 29.7 1.0 OP2 A:CBR6 4.6 49.0 1.0 C4 A:DC7 4.6 36.7 1.0 C2 A:CBR6 4.7 41.9 1.0 C5 A:DG5 4.8 30.6 1.0 C6 B:DG14 5.0 38.4 1.0

Bromine binding site 2 out of 2 in the Structural Basis For G C Recognition in the Dna Minor Groove


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structural Basis For G C Recognition in the Dna Minor Groove within 5.0Å range: probe atom residue distance (Å) B Occ B:Br16 b:36.2 occ:1.00 BR B:CBR16 0.0 36.2 1.0 C5 B:CBR16 1.9 37.9 1.0 C6 B:CBR16 2.8 37.6 1.0 C4 B:CBR16 2.9 37.3 1.0 N4 B:CBR16 3.0 30.3 1.0 O B:HOH42 3.5 48.6 1.0 O B:HOH33 3.6 47.0 1.0 N4 B:DC17 3.8 37.6 1.0 O6 A:DG4 3.8 31.9 1.0 O A:HOH56 4.0 54.6 1.0 C2' B:DG15 4.0 40.0 1.0 O B:HOH71 4.0 42.5 1.0 O B:HOH69 4.1 50.0 1.0 N1 B:CBR16 4.1 39.8 1.0 N3 B:CBR16 4.1 40.3 1.0 C8 B:DG15 4.2 37.9 1.0 N9 B:DG15 4.3 39.6 1.0 C4 B:DC17 4.6 39.4 1.0 O A:HOH43 4.6 40.4 1.0 C2 B:CBR16 4.6 40.7 1.0 N7 B:DG15 4.7 38.6 1.0 C1' B:DG15 4.7 36.3 1.0 C4 B:DG15 4.7 38.6 1.0 C6 A:DG4 4.8 31.1 1.0 C5 B:DG15 4.9 36.5 1.0 OP2 B:CBR16 5.0 43.9 1.0

C.L.Kielkopf, E.E.Baird, P.B.Dervan, D.C.Rees. Structural Basis For G.C Recognition in the Dna Minor Groove. Nat.Struct.Biol. V. 5 104 1998.
ISSN: ISSN 1072-8368
PubMed: 9461074
DOI: 10.1038/NSB0298-104