Bromine in PDB 3cxm: Leishmania Naiffi Uracil-Dna Glycosylase in Complex with 5-Bromouracil

The structure of Leishmania Naiffi Uracil-Dna Glycosylase in Complex with 5-Bromouracil, PDB code: 3cxm was solved by E.T.Larson, E.A.Merritt, Structural Genomics Of Pathogenic Protozoaconsortium (Sgpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.66 / 1.50
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	75.320, 75.320, 105.703, 90.00, 90.00, 120.00
R / Rfree (%)	13.8 / 16

The binding sites of Bromine atom in the Leishmania Naiffi Uracil-Dna Glycosylase in Complex with 5-Bromouracil (pdb code 3cxm). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Leishmania Naiffi Uracil-Dna Glycosylase in Complex with 5-Bromouracil, PDB code: 3cxm:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Leishmania Naiffi Uracil-Dna Glycosylase in Complex with 5-Bromouracil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Leishmania Naiffi Uracil-Dna Glycosylase in Complex with 5-Bromouracil within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:42.9 occ:0.40 N A:SER230 3.2 21.4 1.0 OG A:SER230 3.4 30.6 1.0 CB A:SER230 3.5 27.4 1.0 CD A:PRO229 3.6 23.1 1.0 N A:PRO229 3.7 19.6 1.0 CB A:PRO228 3.7 23.2 1.0 CA A:SER230 3.9 23.0 1.0 CE1 A:TYR208 4.2 18.4 1.0 C A:PRO228 4.2 23.8 1.0 C A:PRO229 4.2 23.9 1.0 CB A:PRO229 4.2 27.0 1.0 CA A:PRO229 4.3 24.2 1.0 CG A:PRO229 4.3 25.5 1.0 CA A:PRO228 4.5 21.4 1.0 BR A:URB401 4.7 51.4 0.5 OH A:TYR208 4.8 16.3 1.0 N A:LEU231 4.9 20.4 1.0 O A:PRO228 4.9 22.1 1.0 CZ A:TYR208 5.0 16.7 1.0

Bromine binding site 2 out of 2 in the Leishmania Naiffi Uracil-Dna Glycosylase in Complex with 5-Bromouracil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Leishmania Naiffi Uracil-Dna Glycosylase in Complex with 5-Bromouracil within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:51.4 occ:0.50 BR A:URB401 0.0 51.4 0.5 C5 A:URB401 1.8 46.6 0.5 C5 A:URA402 1.8 46.6 0.4 C6 A:URB401 2.8 50.6 0.5 C6 A:URA402 2.8 50.6 0.4 C4 A:URB401 2.9 45.0 0.5 C4 A:URA402 2.9 45.0 0.4 O4 A:URB401 3.1 34.3 0.5 O4 A:URA402 3.1 34.3 0.4 O A:HOH600 3.6 36.1 1.0 CE1 A:HIS331 3.7 27.5 1.0 CE1 A:PHE219 3.7 15.4 1.0 NE2 A:HIS331 3.7 24.8 1.0 O A:HOH732 4.0 49.0 1.0 N1 A:URB401 4.0 45.0 0.5 N1 A:URA402 4.0 45.0 0.4 OG A:SER230 4.0 30.6 1.0 N3 A:URB401 4.1 39.3 0.5 N3 A:URA402 4.1 39.3 0.4 CZ A:PHE219 4.3 14.2 1.0 CD1 A:PHE219 4.3 12.6 1.0 CB A:SER230 4.4 27.4 1.0 C2 A:URB401 4.6 36.4 0.5 C2 A:URA402 4.6 36.4 0.4 BR A:BR403 4.7 42.9 0.4 ND1 A:HIS331 5.0 24.6 1.0

E.T.Larson, E.A.Merritt. Structures of Leishmania Naiffi Uracil-Dna Glycosylase in Complex with Several Ligands Identified with Fragment Cocktail Crystallography. To Be Published.