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:
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: Wed Jul 10 13:14:32 2024
|