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Arsenic in PDB 2o4q: Structure of Phosphotriesterase Mutant G60A

Enzymatic activity of Structure of Phosphotriesterase Mutant G60A

All present enzymatic activity of Structure of Phosphotriesterase Mutant G60A:
3.1.8.1;

Protein crystallography data

The structure of Structure of Phosphotriesterase Mutant G60A, PDB code: 2o4q was solved by J.Kim, U.A.Ramagopal, P.C.Tsai, F.M.Raushel, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.64 / 1.95
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.295, 68.299, 90.030, 90.05, 100.42, 89.96
R / Rfree (%) 16.4 / 22.6

Other elements in 2o4q:

The structure of Structure of Phosphotriesterase Mutant G60A also contains other interesting chemical elements:

Zinc (Zn) 8 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Structure of Phosphotriesterase Mutant G60A (pdb code 2o4q). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Structure of Phosphotriesterase Mutant G60A, PDB code: 2o4q:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 2o4q

Go back to Arsenic Binding Sites List in 2o4q
Arsenic binding site 1 out of 4 in the Structure of Phosphotriesterase Mutant G60A


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Phosphotriesterase Mutant G60A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As1

b:22.2
occ:0.80
AS A:CAC1 0.0 22.2 0.8
O1 A:CAC1 1.7 24.3 0.8
O2 A:CAC1 1.8 16.0 0.8
C2 A:CAC1 2.0 12.0 0.8
C1 A:CAC1 2.0 20.1 0.8
OQ1 A:KCX169 3.2 12.4 1.0
ZN A:ZN2401 3.3 16.7 1.0
ZN A:ZN2402 3.3 18.6 1.0
O A:HOH2593 3.6 22.4 1.0
CX A:KCX169 4.0 16.4 1.0
OQ2 A:KCX169 4.0 17.2 1.0
NE1 A:TRP131 4.0 12.9 1.0
O A:HOH2488 4.1 17.5 1.0
NE2 A:HIS57 4.1 13.7 1.0
CZ2 A:TRP131 4.2 12.0 1.0
CE2 A:TRP131 4.3 11.4 1.0
OD2 A:ASP301 4.5 17.7 1.0
OD1 A:ASP301 4.5 16.4 1.0
CE1 A:HIS57 4.6 10.9 1.0
O A:HOH2596 4.7 31.0 1.0
CD2 A:HIS57 4.8 11.3 1.0
NE2 A:HIS230 4.9 14.3 1.0
ND1 A:HIS201 4.9 14.5 1.0
CG A:ASP301 5.0 15.6 1.0

Arsenic binding site 2 out of 4 in 2o4q

Go back to Arsenic Binding Sites List in 2o4q
Arsenic binding site 2 out of 4 in the Structure of Phosphotriesterase Mutant G60A


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of Phosphotriesterase Mutant G60A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As2

b:21.9
occ:0.70
AS B:CAC2 0.0 21.9 0.7
O2 B:CAC2 1.7 22.6 0.7
O1 B:CAC2 1.7 13.2 0.7
C2 B:CAC2 2.0 17.7 0.7
C1 B:CAC2 2.0 13.6 0.7
OQ2 B:KCX169 3.3 15.0 1.0
ZN B:ZN2403 3.3 18.6 1.0
ZN B:ZN2404 3.3 22.6 1.0
NE1 B:TRP131 3.9 12.8 1.0
CX B:KCX169 4.0 16.6 1.0
OQ1 B:KCX169 4.0 14.9 1.0
O B:HOH2469 4.0 21.1 1.0
NE2 B:HIS57 4.1 17.2 1.0
CZ2 B:TRP131 4.2 12.8 1.0
CE2 B:TRP131 4.3 13.5 1.0
OD2 B:ASP301 4.5 17.0 1.0
CE1 B:HIS57 4.6 14.6 1.0
OD1 B:ASP301 4.6 15.7 1.0
ND1 B:HIS201 4.9 18.3 1.0
CD2 B:HIS57 4.9 19.6 1.0
CD1 B:TRP131 4.9 16.3 1.0
NE2 B:HIS230 4.9 17.8 1.0

Arsenic binding site 3 out of 4 in 2o4q

Go back to Arsenic Binding Sites List in 2o4q
Arsenic binding site 3 out of 4 in the Structure of Phosphotriesterase Mutant G60A


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structure of Phosphotriesterase Mutant G60A within 5.0Å range:
probe atom residue distance (Å) B Occ
K:As3

b:22.5
occ:0.80
AS K:CAC3 0.0 22.5 0.8
O2 K:CAC3 1.7 25.6 0.8
O1 K:CAC3 1.8 12.7 0.8
C2 K:CAC3 2.0 19.6 0.8
C1 K:CAC3 2.0 12.7 0.8
OQ1 K:KCX169 3.2 13.8 1.0
ZN K:ZN2405 3.3 14.1 0.9
ZN K:ZN2406 3.3 19.0 1.0
O K:HOH2672 3.6 23.2 1.0
CX K:KCX169 3.9 13.2 1.0
NE1 K:TRP131 4.0 15.6 1.0
OQ2 K:KCX169 4.0 11.6 1.0
NE2 K:HIS57 4.1 9.1 1.0
CZ2 K:TRP131 4.1 13.9 1.0
O K:HOH2517 4.1 21.4 1.0
CE2 K:TRP131 4.3 14.2 1.0
OD1 K:ASP301 4.5 12.7 1.0
OD2 K:ASP301 4.5 15.2 1.0
CE1 K:HIS57 4.6 8.8 1.0
NE2 K:HIS230 4.8 18.6 1.0
CD2 K:HIS57 4.9 12.4 1.0
ND1 K:HIS201 4.9 17.8 1.0

Arsenic binding site 4 out of 4 in 2o4q

Go back to Arsenic Binding Sites List in 2o4q
Arsenic binding site 4 out of 4 in the Structure of Phosphotriesterase Mutant G60A


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Structure of Phosphotriesterase Mutant G60A within 5.0Å range:
probe atom residue distance (Å) B Occ
P:As4

b:20.9
occ:0.70
AS P:CAC4 0.0 20.9 0.7
O2 P:CAC4 1.7 19.5 0.7
O1 P:CAC4 1.7 16.3 0.7
C2 P:CAC4 2.0 21.5 0.7
C1 P:CAC4 2.0 10.9 0.7
OQ2 P:KCX169 3.2 16.0 1.0
ZN P:ZN2408 3.3 19.7 0.9
ZN P:ZN2407 3.3 14.7 0.8
O P:HOH2566 3.7 26.5 1.0
NE1 P:TRP131 3.8 13.1 1.0
CX P:KCX169 4.0 11.7 1.0
OQ1 P:KCX169 4.0 16.9 1.0
O P:HOH2516 4.1 22.4 1.0
NE2 P:HIS57 4.1 19.2 1.0
CZ2 P:TRP131 4.1 15.5 1.0
CE2 P:TRP131 4.2 16.2 1.0
OD2 P:ASP301 4.5 19.3 1.0
CE1 P:HIS57 4.6 12.4 1.0
OD1 P:ASP301 4.6 16.2 1.0
ND1 P:HIS201 4.7 17.2 1.0
CD1 P:TRP131 4.8 15.3 1.0
CD2 P:HIS57 4.8 15.3 1.0
NE2 P:HIS230 4.9 18.3 1.0

Reference:

J.Kim, P.C.Tsai, S.L.Chen, F.Himo, S.C.Almo, F.M.Raushel. Structure of Diethyl Phosphate Bound to the Binuclear Metal Center of Phosphotriesterase. Biochemistry V. 47 9497 2008.
ISSN: ISSN 0006-2960
PubMed: 18702530
DOI: 10.1021/BI800971V
Page generated: Tue Oct 27 16:49:14 2020

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