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Arsenic in PDB 5wcp: Phosphotriesterase Variant S7

Protein crystallography data

The structure of Phosphotriesterase Variant S7, PDB code: 5wcp was solved by C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.48 / 1.50
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.598, 85.954, 88.443, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 17.5

Other elements in 5wcp:

The structure of Phosphotriesterase Variant S7 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Phosphotriesterase Variant S7 (pdb code 5wcp). 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 S7, PDB code: 5wcp:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 5wcp

Go back to Arsenic Binding Sites List in 5wcp
Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant S7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant S7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As2403

b:18.1
occ:0.79
AS A:CAC2403 0.0 18.1 0.8
O1 A:CAC2403 1.7 14.7 0.8
O2 A:CAC2403 1.7 14.6 0.8
C1 A:CAC2403 1.9 18.0 0.8
C2 A:CAC2403 1.9 18.3 0.8
ZN A:ZN2402 3.1 16.6 0.8
ZN A:ZN2401 3.3 16.1 0.9
OQ2 A:KCX169 3.5 17.4 1.0
NE1 A:TRP131 4.0 18.8 1.0
OQ1 A:KCX169 4.0 17.6 1.0
OD2 A:ASP301 4.0 19.0 1.0
NE2 A:HIS230 4.1 21.2 1.0
O2 A:MPD2406 4.2 35.2 0.7
CX A:KCX169 4.2 17.0 1.0
NE2 A:HIS57 4.3 15.8 1.0
OD1 A:ASP301 4.4 17.3 1.0
CE1 A:HIS230 4.5 19.2 1.0
ND1 A:HIS201 4.6 18.3 1.0
CZ2 A:TRP131 4.6 20.8 1.0
CE2 A:TRP131 4.6 18.6 1.0
CG A:ASP301 4.7 14.6 1.0
CE1 A:HIS201 4.8 21.2 1.0
C3 A:MPD2406 4.9 31.7 0.7
NE2 A:HIS55 4.9 14.9 1.0
C2 A:MPD2406 4.9 34.0 0.7
CE1 A:HIS57 4.9 14.9 1.0
O4 A:MPD2406 5.0 30.1 0.7

Arsenic binding site 2 out of 2 in 5wcp

Go back to Arsenic Binding Sites List in 5wcp
Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant S7 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:As2403

b:21.9
occ:0.81
AS G:CAC2403 0.0 21.9 0.8
O1 G:CAC2403 1.7 19.8 0.8
O2 G:CAC2403 1.7 17.8 0.8
C2 G:CAC2403 1.9 23.5 0.8
C1 G:CAC2403 2.0 18.9 0.8
ZN G:ZN2402 3.1 19.8 0.8
ZN G:ZN2401 3.2 19.1 0.9
OQ1 G:KCX169 3.5 23.2 1.0
OQ2 G:KCX169 3.9 23.2 1.0
NE1 G:TRP131 4.1 22.3 1.0
NE2 G:HIS230 4.1 23.9 1.0
OD2 G:ASP301 4.2 24.6 1.0
CX G:KCX169 4.2 21.9 1.0
NE2 G:HIS57 4.2 20.8 1.0
OD1 G:ASP301 4.4 23.7 1.0
CE1 G:HIS230 4.5 23.7 1.0
CZ2 G:TRP131 4.5 25.9 1.0
ND1 G:HIS201 4.6 24.5 1.0
CE2 G:TRP131 4.6 21.1 1.0
CG G:ASP301 4.7 23.3 1.0
CE1 G:HIS201 4.8 26.0 1.0
CE1 G:HIS57 4.8 21.2 1.0
O G:HOH2654 4.9 49.8 1.0
NE2 G:HIS55 4.9 23.4 1.0

Reference:

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S7 To Be Published.
Page generated: Sat Dec 12 01:48:00 2020

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