Atomistry » Arsenic » PDB 4uhf-4zng » 4xd5
Atomistry »
  Arsenic »
    PDB 4uhf-4zng »
      4xd5 »

Arsenic in PDB 4xd5: Phosphotriesterase Variant R2

Protein crystallography data

The structure of Phosphotriesterase Variant R2, PDB code: 4xd5 was solved by E.Campbell, M.Kaltenbach, N.Tokuriki, C.J.Jackson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.19 / 1.85
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.704, 85.869, 88.382, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 20.4

Other elements in 4xd5:

The structure of Phosphotriesterase Variant R2 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Phosphotriesterase Variant R2 (pdb code 4xd5). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Phosphotriesterase Variant R2, PDB code: 4xd5:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 4xd5

Go back to Arsenic Binding Sites List in 4xd5
Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant R2


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant R2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As2403

b:26.0
occ:0.68
AS A:CAC2403 0.0 26.0 0.7
O2 A:CAC2403 1.7 18.1 0.7
O1 A:CAC2403 1.8 9.9 0.7
C2 A:CAC2403 2.0 20.5 0.7
C1 A:CAC2403 2.0 26.3 0.7
ZN A:ZN2402 3.1 14.2 0.8
ZN A:ZN2401 3.3 13.8 1.0
NH2 A:ARG254 3.5 26.5 0.3
OQ2 A:KCX169 3.5 14.6 1.0
OQ1 A:KCX169 4.0 14.3 1.0
NE1 A:TRP131 4.0 21.5 1.0
OD2 A:ASP301 4.1 15.4 1.0
CX A:KCX169 4.2 17.0 1.0
O A:HOH2650 4.3 33.7 1.0
CZ2 A:TRP131 4.3 20.5 1.0
NE2 A:HIS57 4.3 12.5 1.0
OD1 A:ASP301 4.4 9.4 1.0
CE2 A:TRP131 4.4 17.3 1.0
ND1 A:HIS201 4.5 19.0 1.0
NE2 A:HIS230 4.6 12.7 1.0
CZ A:ARG254 4.7 23.5 0.3
CG A:ASP301 4.7 10.3 1.0
CE1 A:HIS57 4.8 10.7 1.0
CE1 A:HIS201 4.8 28.6 1.0

Arsenic binding site 2 out of 2 in 4xd5

Go back to Arsenic Binding Sites List in 4xd5
Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant R2


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant R2 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:As401

b:26.3
occ:0.79
AS G:CAC401 0.0 26.3 0.8
O1 G:CAC401 1.7 17.9 0.8
O2 G:CAC401 1.7 22.3 0.8
C1 G:CAC401 2.0 26.7 0.8
C2 G:CAC401 2.0 19.7 0.8
ZN G:ZN403 3.1 18.0 0.9
ZN G:ZN402 3.3 14.9 0.9
OQ2 G:KCX169 3.5 16.1 1.0
NH2 G:ARG254 3.8 25.9 0.3
OD2 G:ASP301 4.0 23.6 1.0
OQ1 G:KCX169 4.1 17.1 1.0
CX G:KCX169 4.2 19.8 1.0
NE2 G:HIS57 4.3 12.5 1.0
NE1 G:TRP131 4.3 18.6 1.0
O G:HOH664 4.3 43.4 1.0
NE2 G:HIS230 4.4 18.7 1.0
OD1 G:ASP301 4.4 15.8 1.0
CZ2 G:TRP131 4.5 25.9 1.0
ND1 G:HIS201 4.5 15.1 1.0
CG G:ASP301 4.6 18.4 1.0
CE2 G:TRP131 4.7 21.1 1.0
CE1 G:HIS201 4.8 25.4 1.0
CZ G:ARG254 4.9 25.9 0.3
NH1 G:ARG254 4.9 29.2 0.7
CE1 G:HIS57 4.9 15.3 1.0
CE1 G:HIS230 4.9 19.8 1.0

Reference:

E.Campbell, M.Kaltenbach, G.J.Correy, P.D.Carr, B.T.Porebski, E.K.Livingstone, L.Afriat-Jurnou, A.M.Buckle, M.Weik, F.Hollfelder, N.Tokuriki, C.J.Jackson. The Role of Protein Dynamics in the Evolution of New Enzyme Function. Nat.Chem.Biol. V. 12 944 2016.
ISSN: ESSN 1552-4469
PubMed: 27618189
DOI: 10.1038/NCHEMBIO.2175
Page generated: Mon Jul 7 00:10:02 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy