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Bromine in PDB 2zc1: Organophosphorus Hydrolase From Deinococcus Radiodurans

Enzymatic activity of Organophosphorus Hydrolase From Deinococcus Radiodurans

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

Protein crystallography data

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

Other elements in 2zc1:

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

Cobalt (Co) 2 atoms

Bromine Binding Sites:

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 2zc1

Go back to Bromine Binding Sites List in 2zc1
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 2zc1

Go back to Bromine Binding Sites List in 2zc1
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 2zc1

Go back to Bromine Binding Sites List in 2zc1
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 2zc1

Go back to Bromine Binding Sites List in 2zc1
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

Reference:

S.D.Larsen, R.Hawwa, K.Ratia, B.D.Santarsiero, A.D.Mesecar. X-Ray Structural Insights Into A Phosphotriesterase To Be Published.
Page generated: Sat Dec 12 02:10:05 2020

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