Bromine in PDB 3bs1: Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding

The structure of Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding, PDB code: 3bs1 was solved by D.J.Sidote, C.Barbieri, T.Wu, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.30 / 1.60
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	47.938, 47.938, 100.112, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 22.1

The structure of Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Bromine atom in the Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding (pdb code 3bs1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding, PDB code: 3bs1:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Br14 b:36.8 occ:1.00 BR B:BRU14 0.0 36.8 1.0 C5 B:BRU14 1.9 33.7 1.0 C6 B:BRU14 2.8 33.5 1.0 C4 B:BRU14 2.9 33.2 1.0 O4 B:BRU14 3.1 32.0 1.0 C2' B:DG13 3.3 23.7 1.0 C8 B:DG13 3.4 20.6 1.0 N9 B:DG13 3.6 20.7 1.0 N7 B:DG13 3.7 20.4 1.0 C5 B:DG13 4.0 19.4 1.0 C4 B:DG13 4.0 20.1 1.0 N1 B:BRU14 4.1 33.2 1.0 C1' B:DG13 4.1 21.7 1.0 N3 B:BRU14 4.2 33.4 1.0 CE1 A:HIS169 4.5 18.8 1.0 C3' B:DG13 4.6 25.9 1.0 C2 B:BRU14 4.6 33.8 1.0 OP2 B:BRU14 4.7 32.1 1.0 OP2 B:DG13 4.8 28.1 1.0 N3 B:DG13 4.9 20.5 1.0 C6 B:DG13 4.9 19.9 1.0

Bromine binding site 2 out of 2 in the Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with A Novel Mode of Binding within 5.0Å range: probe atom residue distance (Å) B Occ C:Br3 b:36.1 occ:1.00 BR C:BRU3 0.0 36.1 1.0 C5 C:BRU3 1.9 32.3 1.0 C6 C:BRU3 2.9 32.3 1.0 C4 C:BRU3 2.9 31.8 1.0 O4 C:BRU3 3.1 30.8 1.0 O A:SER168 3.5 14.9 1.0 O A:HOH353 3.6 34.3 1.0 C8 C:DA2 3.7 15.8 1.0 NH2 A:ARG170 3.8 17.1 1.0 C2' C:DA2 3.9 17.0 1.0 N9 C:DA2 3.9 15.9 1.0 CD2 A:HIS169 4.1 19.1 1.0 OG A:SER168 4.1 19.1 1.0 CB A:HIS169 4.1 14.9 1.0 C A:SER168 4.1 15.4 1.0 CB A:SER168 4.2 16.9 1.0 N1 C:BRU3 4.2 32.5 1.0 N3 C:BRU3 4.2 32.4 1.0 N7 C:DA2 4.2 15.3 1.0 C1' C:DA2 4.2 17.1 1.0 O C:HOH302 4.3 40.1 1.0 CG A:HIS169 4.3 16.9 1.0 CE1 A:TYR183 4.3 13.3 1.0 C4 C:DA2 4.4 16.2 1.0 C5 C:DA2 4.6 15.4 1.0 OP2 C:BRU3 4.6 25.2 1.0 CZ A:ARG170 4.6 16.1 1.0 C2 C:BRU3 4.7 32.6 1.0 OH A:TYR183 4.7 14.4 1.0 CA A:SER168 4.8 16.5 1.0 N A:HIS169 4.9 15.2 1.0 NE A:ARG170 4.9 15.3 1.0

D.J.Sidote, C.M.Barbieri, T.Wu, A.M.Stock. Structure of the Staphylococcus Aureus Agra Lyttr Domain Bound to Dna Reveals A Beta Fold with An Unusual Mode of Binding. Structure V. 16 727 2008.
ISSN: ISSN 0969-2126
PubMed: 18462677
DOI: 10.1016/J.STR.2008.02.011