Arsenic in PDB 6cz8: The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate
Protein crystallography data
The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate, PDB code: 6cz8
was solved by
N.R.Glasser,
D.K.Newman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.10 /
1.78
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
233.162,
86.344,
148.221,
90.00,
127.67,
90.00
|
R / Rfree (%)
|
13.7 /
16.8
|
Other elements in 6cz8:
The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate also contains other interesting chemical elements:
Arsenic Binding Sites:
The binding sites of Arsenic atom in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate
(pdb code 6cz8). This binding sites where shown within
5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the
The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate, PDB code: 6cz8:
Jump to Arsenic binding site number:
1;
2;
3;
4;
Arsenic binding site 1 out
of 4 in 6cz8
Go back to
Arsenic Binding Sites List in 6cz8
Arsenic binding site 1 out
of 4 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 1 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:As904
b:21.5
occ:0.49
|
AS
|
C:ART904
|
0.0
|
21.5
|
0.5
|
O
|
C:O907
|
1.3
|
17.5
|
0.5
|
O4
|
C:ART904
|
1.6
|
18.6
|
0.5
|
O2
|
C:ART904
|
1.7
|
28.4
|
0.5
|
O3
|
C:ART904
|
1.8
|
24.7
|
0.5
|
O1
|
C:ART904
|
1.8
|
19.9
|
0.5
|
O2
|
C:ART904
|
1.8
|
14.6
|
0.5
|
O
|
C:O906
|
2.2
|
33.7
|
0.8
|
AS
|
C:ART904
|
2.4
|
42.2
|
0.5
|
O3
|
C:ART904
|
2.4
|
83.0
|
0.5
|
HH
|
C:TYR166
|
2.9
|
25.4
|
1.0
|
HH12
|
C:ARG165
|
3.1
|
24.1
|
1.0
|
HH
|
C:TYR210
|
3.3
|
27.2
|
1.0
|
O1
|
C:ART904
|
3.4
|
24.5
|
0.5
|
O
|
C:HOH1120
|
3.6
|
21.1
|
1.0
|
HE1
|
C:TYR166
|
3.6
|
24.5
|
1.0
|
O
|
C:HOH1086
|
3.7
|
38.9
|
1.0
|
OH
|
C:TYR166
|
3.7
|
21.2
|
1.0
|
O4
|
C:ART904
|
3.8
|
32.2
|
0.5
|
HG
|
C:SER190
|
3.8
|
25.1
|
1.0
|
NE2
|
C:HIS189
|
3.9
|
17.5
|
1.0
|
HG21
|
C:THR65
|
4.0
|
24.1
|
1.0
|
NH1
|
C:ARG165
|
4.0
|
20.1
|
1.0
|
HD2
|
C:HIS189
|
4.0
|
20.9
|
1.0
|
HH22
|
C:ARG165
|
4.0
|
22.9
|
1.0
|
SG
|
C:CYS193
|
4.0
|
19.3
|
1.0
|
OH
|
C:TYR210
|
4.0
|
22.7
|
1.0
|
O
|
C:O912
|
4.1
|
36.1
|
0.9
|
HA
|
C:SER190
|
4.1
|
22.3
|
1.0
|
HB3
|
C:CYS193
|
4.3
|
22.9
|
1.0
|
O
|
C:HOH1012
|
4.3
|
19.1
|
1.0
|
CD2
|
C:HIS189
|
4.3
|
17.4
|
1.0
|
O
|
C:HOH1057
|
4.3
|
20.8
|
1.0
|
CE1
|
C:TYR166
|
4.4
|
20.4
|
1.0
|
HH11
|
C:ARG165
|
4.4
|
24.1
|
1.0
|
HB2
|
C:CYS193
|
4.4
|
22.9
|
1.0
|
CZ
|
C:TYR166
|
4.5
|
21.8
|
1.0
|
CB
|
C:CYS193
|
4.5
|
19.1
|
1.0
|
HE2
|
C:TYR210
|
4.6
|
26.3
|
1.0
|
OG
|
C:SER190
|
4.6
|
20.9
|
1.0
|
NH2
|
C:ARG165
|
4.7
|
19.1
|
1.0
|
HZ1
|
C:LYS198
|
4.7
|
26.1
|
1.0
|
CG2
|
C:THR65
|
4.8
|
20.1
|
1.0
|
CZ
|
C:ARG165
|
4.8
|
19.8
|
1.0
|
HG22
|
C:THR65
|
4.9
|
24.1
|
1.0
|
|
Arsenic binding site 2 out
of 4 in 6cz8
Go back to
Arsenic Binding Sites List in 6cz8
Arsenic binding site 2 out
of 4 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 2 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:As904
b:42.2
occ:0.51
|
AS
|
C:ART904
|
0.0
|
42.2
|
0.5
|
O4
|
C:ART904
|
1.6
|
32.2
|
0.5
|
O2
|
C:ART904
|
1.7
|
14.6
|
0.5
|
O2
|
C:ART904
|
1.8
|
28.4
|
0.5
|
O3
|
C:ART904
|
1.8
|
83.0
|
0.5
|
O1
|
C:ART904
|
1.8
|
24.5
|
0.5
|
O
|
C:O912
|
2.0
|
36.1
|
0.9
|
AS
|
C:ART904
|
2.4
|
21.5
|
0.5
|
O4
|
C:ART904
|
2.6
|
18.6
|
0.5
|
O1
|
C:ART904
|
2.8
|
19.9
|
0.5
|
HZ1
|
C:LYS198
|
2.9
|
26.1
|
1.0
|
HG
|
C:SER190
|
3.0
|
25.1
|
1.0
|
HH
|
C:TYR166
|
3.3
|
25.4
|
1.0
|
HH
|
C:TYR210
|
3.3
|
27.2
|
1.0
|
O
|
C:O906
|
3.5
|
33.7
|
0.8
|
O
|
C:HOH1120
|
3.6
|
21.1
|
1.0
|
O
|
C:O907
|
3.6
|
17.5
|
0.5
|
NZ
|
C:LYS198
|
3.7
|
21.8
|
1.0
|
OG
|
C:SER190
|
3.7
|
20.9
|
1.0
|
HZ2
|
C:LYS198
|
3.7
|
26.1
|
1.0
|
OH
|
C:TYR166
|
3.7
|
21.2
|
1.0
|
HZ3
|
C:LYS198
|
4.0
|
26.1
|
1.0
|
OH
|
C:TYR210
|
4.0
|
22.7
|
1.0
|
HB3
|
C:SER190
|
4.1
|
23.1
|
1.0
|
O3
|
C:ART904
|
4.1
|
24.7
|
0.5
|
O
|
C:HOH1057
|
4.1
|
20.8
|
1.0
|
HA
|
C:SER190
|
4.4
|
22.3
|
1.0
|
CB
|
C:SER190
|
4.4
|
19.3
|
1.0
|
O
|
C:HOH1086
|
4.4
|
38.9
|
1.0
|
O
|
C:HOH1241
|
4.4
|
41.8
|
1.0
|
OE2
|
C:GLU195
|
4.4
|
24.2
|
1.0
|
HE2
|
C:TYR210
|
4.5
|
26.3
|
1.0
|
HE1
|
C:TYR166
|
4.6
|
24.5
|
1.0
|
O
|
C:HOH1285
|
4.7
|
32.3
|
1.0
|
HE3
|
C:LYS198
|
4.7
|
25.1
|
1.0
|
CE
|
C:LYS198
|
4.8
|
20.9
|
1.0
|
CZ
|
C:TYR166
|
4.8
|
21.8
|
1.0
|
CZ
|
C:TYR210
|
4.9
|
22.7
|
1.0
|
CA
|
C:SER190
|
5.0
|
18.6
|
1.0
|
HH21
|
C:ARG163
|
5.0
|
25.1
|
1.0
|
CE2
|
C:TYR210
|
5.0
|
21.9
|
1.0
|
|
Arsenic binding site 3 out
of 4 in 6cz8
Go back to
Arsenic Binding Sites List in 6cz8
Arsenic binding site 3 out
of 4 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 3 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:As904
b:29.2
occ:0.59
|
AS
|
A:ART904
|
0.0
|
29.2
|
0.6
|
O
|
A:O907
|
1.3
|
28.5
|
0.5
|
O4
|
A:ART904
|
1.6
|
33.5
|
0.6
|
O2
|
A:ART904
|
1.8
|
26.0
|
0.6
|
O1
|
A:ART904
|
1.8
|
23.1
|
0.6
|
O3
|
A:ART904
|
1.8
|
29.8
|
0.6
|
O
|
A:O906
|
2.0
|
32.2
|
0.8
|
O4
|
A:ART904
|
2.1
|
84.5
|
0.4
|
O3
|
A:ART904
|
2.2
|
56.9
|
0.4
|
AS
|
A:ART904
|
2.5
|
49.5
|
0.4
|
HH
|
A:TYR166
|
3.0
|
31.3
|
1.0
|
HH12
|
A:ARG165
|
3.2
|
31.6
|
1.0
|
HH
|
A:TYR210
|
3.3
|
30.5
|
1.0
|
O2
|
A:ART904
|
3.5
|
29.6
|
0.4
|
O
|
A:HOH1012
|
3.5
|
39.5
|
1.0
|
O
|
A:HOH1045
|
3.7
|
21.8
|
1.0
|
HE1
|
A:TYR166
|
3.8
|
33.0
|
1.0
|
OH
|
A:TYR166
|
3.8
|
26.1
|
1.0
|
NE2
|
A:HIS189
|
3.9
|
27.0
|
1.0
|
HG21
|
A:THR65
|
3.9
|
30.5
|
1.0
|
O
|
A:HOH1210
|
3.9
|
41.3
|
1.0
|
SG
|
A:CYS193
|
3.9
|
25.1
|
1.0
|
OH
|
A:TYR210
|
4.0
|
25.4
|
1.0
|
HH22
|
A:ARG165
|
4.0
|
27.4
|
1.0
|
NH1
|
A:ARG165
|
4.0
|
26.3
|
1.0
|
HD2
|
A:HIS189
|
4.1
|
31.9
|
1.0
|
O1
|
A:ART904
|
4.1
|
31.6
|
0.4
|
HA
|
A:SER190
|
4.2
|
31.9
|
1.0
|
O
|
A:O912
|
4.2
|
30.5
|
0.6
|
HB3
|
A:CYS193
|
4.3
|
30.1
|
1.0
|
O
|
A:HOH1250
|
4.4
|
21.2
|
1.0
|
O
|
A:HOH1142
|
4.4
|
25.4
|
1.0
|
CD2
|
A:HIS189
|
4.4
|
26.6
|
1.0
|
HB2
|
A:CYS193
|
4.4
|
30.1
|
1.0
|
HE2
|
A:TYR210
|
4.5
|
29.0
|
1.0
|
HH11
|
A:ARG165
|
4.5
|
31.6
|
1.0
|
CB
|
A:CYS193
|
4.5
|
25.1
|
1.0
|
CE1
|
A:TYR166
|
4.5
|
27.5
|
1.0
|
CZ
|
A:TYR166
|
4.7
|
28.9
|
1.0
|
NH2
|
A:ARG165
|
4.7
|
22.8
|
1.0
|
HZ1
|
A:LYS198
|
4.7
|
34.8
|
1.0
|
OG
|
A:SER190
|
4.7
|
30.0
|
1.0
|
HG
|
A:SER190
|
4.8
|
36.0
|
1.0
|
CG2
|
A:THR65
|
4.8
|
25.4
|
1.0
|
CZ
|
A:ARG165
|
4.8
|
23.4
|
1.0
|
HG22
|
A:THR65
|
4.9
|
30.5
|
1.0
|
|
Arsenic binding site 4 out
of 4 in 6cz8
Go back to
Arsenic Binding Sites List in 6cz8
Arsenic binding site 4 out
of 4 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 4 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:As904
b:49.5
occ:0.41
|
AS
|
A:ART904
|
0.0
|
49.5
|
0.4
|
O4
|
A:ART904
|
1.6
|
84.5
|
0.4
|
O3
|
A:ART904
|
1.8
|
56.9
|
0.4
|
O2
|
A:ART904
|
1.8
|
29.6
|
0.4
|
O1
|
A:ART904
|
1.8
|
31.6
|
0.4
|
O1
|
A:ART904
|
1.9
|
23.1
|
0.6
|
O
|
A:O912
|
2.0
|
30.5
|
0.6
|
AS
|
A:ART904
|
2.5
|
29.2
|
0.6
|
HZ1
|
A:LYS198
|
2.7
|
34.8
|
1.0
|
O3
|
A:ART904
|
2.8
|
29.8
|
0.6
|
O4
|
A:ART904
|
2.9
|
33.5
|
0.6
|
O
|
A:O906
|
3.1
|
32.2
|
0.8
|
HH
|
A:TYR210
|
3.3
|
30.5
|
1.0
|
HH
|
A:TYR166
|
3.3
|
31.3
|
1.0
|
HG
|
A:SER190
|
3.4
|
36.0
|
1.0
|
HZ2
|
A:LYS198
|
3.4
|
34.8
|
1.0
|
NZ
|
A:LYS198
|
3.5
|
29.0
|
1.0
|
O
|
A:O907
|
3.6
|
28.5
|
0.5
|
O
|
A:HOH1045
|
3.7
|
21.8
|
1.0
|
OG
|
A:SER190
|
3.7
|
30.0
|
1.0
|
OH
|
A:TYR166
|
3.9
|
26.1
|
1.0
|
HZ3
|
A:LYS198
|
3.9
|
34.8
|
1.0
|
HB3
|
A:SER190
|
4.0
|
35.7
|
1.0
|
OH
|
A:TYR210
|
4.1
|
25.4
|
1.0
|
O
|
A:HOH1038
|
4.1
|
44.7
|
1.0
|
O2
|
A:ART904
|
4.2
|
26.0
|
0.6
|
O
|
A:HOH1142
|
4.3
|
25.4
|
1.0
|
OE2
|
A:GLU195
|
4.4
|
32.0
|
1.0
|
CB
|
A:SER190
|
4.4
|
29.8
|
1.0
|
HA
|
A:SER190
|
4.5
|
31.9
|
1.0
|
HE2
|
A:TYR210
|
4.5
|
29.0
|
1.0
|
HE3
|
A:LYS198
|
4.6
|
34.4
|
1.0
|
CE
|
A:LYS198
|
4.6
|
28.6
|
1.0
|
O
|
A:HOH1210
|
4.6
|
41.3
|
1.0
|
O
|
A:HOH1386
|
4.7
|
36.5
|
1.0
|
HE1
|
A:TYR166
|
4.7
|
33.0
|
1.0
|
HE2
|
A:LYS198
|
4.8
|
34.4
|
1.0
|
CZ
|
A:TYR210
|
4.9
|
27.5
|
1.0
|
CZ
|
A:TYR166
|
5.0
|
28.9
|
1.0
|
CE2
|
A:TYR210
|
5.0
|
24.2
|
1.0
|
|
Reference:
N.R.Glasser,
P.H.Oyala,
T.H.Osborne,
J.M.Santini,
D.K.Newman.
Structural and Mechanistic Analysis of the Arsenate Respiratory Reductase Provides Insight Into Environmental Arsenic Transformations. Proc. Natl. Acad. Sci. V. 115 E8614 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30104376
DOI: 10.1073/PNAS.1807984115
Page generated: Wed Jul 10 13:14:47 2024
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