Bromine in PDB 2zc1: Organophosphorus Hydrolase From Deinococcus Radiodurans

All present enzymatic activity of Organophosphorus Hydrolase From Deinococcus Radiodurans:
3.1.8.1;

The structure of Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 2zc1 was solved by S.D.Larsen, R.Hawwa, K.Ratia, B.D.Santarsiero, A.D.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.843, 60.843, 207.694, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 21.2

The structure of Organophosphorus Hydrolase From Deinococcus Radiodurans also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Bromine atom in the Organophosphorus Hydrolase From Deinococcus Radiodurans (pdb code 2zc1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Organophosphorus Hydrolase From Deinococcus Radiodurans, PDB code: 2zc1:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Organophosphorus Hydrolase From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:30.2 occ:0.35 O A:HOH642 3.3 42.5 1.0 O A:HOH689 3.3 44.9 1.0 N A:ALA177 3.6 24.3 1.0 CD A:PRO176 3.7 25.3 1.0 CB A:ALA177 3.8 25.9 1.0 CG2 A:THR235 3.9 34.6 1.0 CB A:PRO176 4.1 25.9 1.0 N A:PRO176 4.1 25.5 1.0 O A:HOH888 4.2 69.7 1.0 CA A:ALA177 4.3 25.6 1.0 CG A:PRO176 4.3 27.9 1.0 OD1 A:ASN175 4.3 26.5 1.0 C A:PRO176 4.4 23.9 1.0 CA A:PRO176 4.5 25.1 1.0 CB A:ALA233 4.5 31.5 1.0 O A:HOH658 4.6 39.4 1.0 O A:HOH785 4.7 50.2 1.0 OG1 A:THR235 4.8 31.9 1.0 O A:ILE232 4.8 27.7 1.0 C A:ASN175 4.9 25.9 1.0 CG2 A:ILE232 4.9 23.9 1.0 CB A:THR235 4.9 35.0 1.0

Bromine binding site 2 out of 4 in the Organophosphorus Hydrolase From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Br2 b:31.9 occ:0.35 O A:HOH738 3.3 46.2 1.0 ND2 A:ASN175 3.3 28.0 1.0 O A:HOH772 3.4 50.8 1.0 CD2 A:HIS142 3.8 33.0 1.0 O A:HOH777 4.0 51.0 1.0 OE2 A:GLU181 4.2 38.5 1.0 CG A:ASN175 4.2 27.6 1.0 CE2 A:PHE140 4.2 24.0 1.0 OD1 A:ASN175 4.3 26.5 1.0 CB A:PHE178 4.3 25.4 1.0 NE2 A:HIS142 4.3 34.2 1.0 CD1 A:PHE178 4.5 26.8 1.0 O A:HOH689 4.6 44.9 1.0 CA A:PHE178 4.8 24.6 1.0 CD2 A:PHE140 4.8 26.0 1.0 N A:PHE178 4.8 24.6 1.0 CG A:PHE178 4.9 26.2 1.0

Bromine binding site 3 out of 4 in the Organophosphorus Hydrolase From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:42.8 occ:0.35 NH1 A:ARG401 3.5 31.8 1.0 CG A:ARG401 3.7 26.2 1.0 CG1 A:VAL410 3.9 24.7 1.0 CD A:ARG401 3.9 28.1 1.0 CB A:VAL410 4.2 23.7 1.0 CG2 A:VAL410 4.3 22.2 1.0 O A:HOH862 4.5 46.9 1.0 CZ A:ARG401 4.6 30.7 1.0 CB A:LEU397 4.7 22.3 1.0 NE A:ARG401 4.7 30.2 1.0

Bromine binding site 4 out of 4 in the Organophosphorus Hydrolase From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Organophosphorus Hydrolase From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4 b:37.1 occ:0.35 O A:HOH601 2.7 37.4 1.0 O A:HOH792 3.0 53.3 1.0 O A:HOH623 3.1 39.8 1.0 CA A:TYR254 3.9 23.5 1.0 O A:HOH780 4.0 51.1 1.0 CD1 A:LEU257 4.0 28.1 1.0 CB A:ALA211 4.0 31.7 1.0 N A:TYR254 4.1 25.1 1.0 CB A:TYR254 4.1 23.9 1.0 CG A:LYS208 4.3 28.0 1.0 CD1 A:TYR254 4.3 22.7 1.0 O A:HOH719 4.4 48.2 1.0 CA A:LYS208 4.4 29.0 1.0 O A:HOH863 4.4 59.1 1.0 O A:HOH494 4.6 30.1 1.0 C A:PRO253 4.6 25.6 1.0 CB A:LYS208 4.7 29.2 1.0 CG A:TYR254 4.8 23.3 1.0 O A:PRO253 4.8 24.4 1.0 O A:LYS208 4.8 29.6 1.0 CG A:LEU257 4.9 30.4 1.0 CB A:PRO253 4.9 27.5 1.0

S.D.Larsen, R.Hawwa, K.Ratia, B.D.Santarsiero, A.D.Mesecar. X-Ray Structural Insights Into A Phosphotriesterase To Be Published.