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Arsenic in PDB 6bhl: Phosphotriesterase Variant S5DELTAL7

Protein crystallography data

The structure of Phosphotriesterase Variant S5DELTAL7, PDB code: 6bhl 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) 30.75 / 1.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.146, 85.485, 88.535, 90.00, 90.00, 90.00
R / Rfree (%) 13.4 / 16.1

Other elements in 6bhl:

The structure of Phosphotriesterase Variant S5DELTAL7 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Phosphotriesterase Variant S5DELTAL7 (pdb code 6bhl). 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 S5DELTAL7, PDB code: 6bhl:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 6bhl

Go back to Arsenic Binding Sites List in 6bhl
Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant S5DELTAL7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant S5DELTAL7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As2407

b:13.3
occ:0.64
AS A:CAC2407 0.0 13.3 0.6
O2 A:CAC2407 1.7 10.6 0.6
O1 A:CAC2407 1.7 12.0 0.6
C1 A:CAC2407 1.9 12.7 0.6
C2 A:CAC2407 2.0 14.5 0.6
O A:HOH2501 2.2 8.0 1.0
ZN A:ZN2402 3.0 12.6 0.9
ZN A:ZN2401 3.2 9.9 1.0
HE1 A:TRP131 3.4 15.8 1.0
H12 A:MPD2404 3.6 50.2 1.0
OQ2 A:KCX169 3.6 11.2 1.0
OD2 A:ASP292 3.9 12.4 1.0
HZ2 A:TRP131 3.9 16.8 1.0
OQ1 A:KCX169 4.0 12.3 1.0
NE1 A:TRP131 4.0 13.2 1.0
HE1 A:HIS201 4.1 20.0 1.0
O A:HOH2728 4.1 36.2 1.0
NE2 A:HIS230 4.2 13.6 1.0
OD1 A:ASP292 4.2 10.5 1.0
CX A:KCX169 4.2 12.4 1.0
NE2 A:HIS57 4.3 7.7 1.0
HE1 A:HIS230 4.4 17.0 1.0
ND1 A:HIS201 4.4 13.7 1.0
NE2 A:HIS57 4.4 9.6 0.0
H13 A:MPD2404 4.4 50.2 1.0
CG A:ASP292 4.5 11.7 1.0
C1 A:MPD2404 4.5 41.9 1.0
CZ2 A:TRP131 4.5 14.0 1.0
O A:HOH2702 4.6 49.6 1.0
CE2 A:TRP131 4.6 12.4 1.0
CE1 A:HIS201 4.6 16.7 1.0
CE1 A:HIS230 4.6 14.2 1.0
HD11 A:LEU106 4.8 12.9 0.0
HD11 A:LEU106 4.8 14.0 1.0
O2 A:MPD2404 4.9 37.1 1.0
NE2 A:HIS55 4.9 9.0 1.0
HE1 A:HIS57 4.9 9.8 1.0
CE1 A:HIS57 4.9 8.2 1.0

Arsenic binding site 2 out of 2 in 6bhl

Go back to Arsenic Binding Sites List in 6bhl
Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S5DELTAL7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant S5DELTAL7 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:As2407

b:12.8
occ:0.70
AS G:CAC2407 0.0 12.8 0.7
O2 G:CAC2407 1.7 10.6 0.7
O1 G:CAC2407 1.7 11.6 0.7
C1 G:CAC2407 1.9 13.8 0.7
C2 G:CAC2407 2.0 13.0 0.7
O G:HOH2501 2.5 14.6 1.0
ZN G:ZN2402 3.0 12.7 0.9
ZN G:ZN2401 3.2 10.6 1.0
HE1 G:TRP131 3.6 15.8 1.0
OQ1 G:KCX169 3.6 11.6 1.0
HE1 G:TRP131 3.7 16.2 0.0
HZ2 G:TRP131 3.8 16.6 0.0
OD2 G:ASP292 3.9 10.6 1.0
HZ2 G:TRP131 4.0 16.8 1.0
OQ2 G:KCX169 4.0 11.3 1.0
NE1 G:TRP131 4.2 13.2 1.0
NE2 G:HIS230 4.2 13.1 1.0
HE1 G:HIS201 4.2 18.8 1.0
CX G:KCX169 4.2 11.7 1.0
H11 G:MPD2406 4.2 63.3 0.9
NE1 G:TRP131 4.2 13.5 0.0
NE2 G:HIS57 4.2 9.3 1.0
H53 G:MPD2406 4.3 65.8 0.9
OD1 G:ASP292 4.3 11.3 1.0
HE1 G:HIS230 4.4 15.2 1.0
H4 G:MPD2406 4.4 65.8 0.9
CZ2 G:TRP131 4.4 13.9 0.0
ND1 G:HIS201 4.5 13.5 1.0
CZ2 G:TRP131 4.5 14.0 1.0
CG G:ASP292 4.6 10.8 1.0
CE2 G:TRP131 4.6 13.6 0.0
CE1 G:HIS230 4.6 12.6 1.0
CE2 G:TRP131 4.6 12.7 1.0
CE1 G:HIS201 4.7 15.6 1.0
HD11 G:LEU106 4.7 14.3 0.3
HD11 G:LEU106 4.7 14.3 0.7
O G:HOH2705 4.8 43.9 1.0
HE1 G:HIS57 4.8 10.8 1.0
CE1 G:HIS57 4.8 9.0 1.0
NE2 G:HIS55 4.9 9.8 0.7
O G:HOH2720 4.9 26.9 1.0
NE2 G:HIS55 4.9 9.5 0.3

Reference:

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S5DELTAL7 To Be Published.
Page generated: Sat Dec 12 01:48:29 2020

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