Iron in PDB 6cz9: The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
Protein crystallography data
The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite, PDB code: 6cz9
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)
|
39.37 /
1.80
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
232.512,
86.306,
147.367,
90.00,
127.72,
90.00
|
|
R / Rfree (%)
|
14.2 /
16.9
|
Other elements in 6cz9:
The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
30;
Page 4, Binding sites: 31 -
40;
Binding sites:
The binding sites of Iron atom in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
(pdb code 6cz9). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the
The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite, PDB code: 6cz9:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 1 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe901
b:21.6
occ:1.00
|
FE1
|
A:SF4901
|
0.0
|
21.6
|
1.0
|
|
S2
|
A:SF4901
|
2.3
|
20.8
|
1.0
|
|
S3
|
A:SF4901
|
2.3
|
21.0
|
1.0
|
|
S4
|
A:SF4901
|
2.3
|
21.6
|
1.0
|
|
SG
|
A:CYS64
|
2.4
|
22.9
|
1.0
|
|
FE3
|
A:SF4901
|
2.7
|
21.4
|
1.0
|
|
FE2
|
A:SF4901
|
2.7
|
21.6
|
1.0
|
|
FE4
|
A:SF4901
|
2.8
|
21.4
|
1.0
|
|
H
|
A:CYS64
|
2.8
|
27.9
|
1.0
|
|
HB2
|
A:SER66
|
3.0
|
24.4
|
1.0
|
|
N
|
A:CYS64
|
3.2
|
23.3
|
1.0
|
|
HH22
|
A:ARG98
|
3.3
|
26.9
|
1.0
|
|
CB
|
A:CYS64
|
3.6
|
18.8
|
1.0
|
|
NH2
|
A:ARG98
|
3.6
|
22.4
|
1.0
|
|
CA
|
A:CYS64
|
3.8
|
19.2
|
1.0
|
|
HG
|
A:SER66
|
3.8
|
26.8
|
1.0
|
|
HH12
|
A:ARG98
|
3.8
|
26.6
|
1.0
|
|
HB3
|
A:CYS64
|
3.9
|
22.6
|
1.0
|
|
C
|
A:GLY63
|
3.9
|
23.4
|
1.0
|
|
S1
|
A:SF4901
|
3.9
|
21.4
|
1.0
|
|
CB
|
A:SER66
|
3.9
|
20.4
|
1.0
|
|
HA3
|
A:GLY63
|
4.0
|
30.4
|
1.0
|
|
HH21
|
A:ARG98
|
4.0
|
26.9
|
1.0
|
|
O
|
A:CYS64
|
4.0
|
23.7
|
1.0
|
|
CZ
|
A:ARG98
|
4.0
|
22.2
|
1.0
|
|
NH1
|
A:ARG98
|
4.1
|
22.1
|
1.0
|
|
H
|
A:SER66
|
4.1
|
25.4
|
1.0
|
|
C
|
A:CYS64
|
4.2
|
22.6
|
1.0
|
|
OG
|
A:SER66
|
4.2
|
22.3
|
1.0
|
|
H
|
A:GLY63
|
4.2
|
26.4
|
1.0
|
|
H
|
A:TRP67
|
4.2
|
25.8
|
1.0
|
|
CA
|
A:GLY63
|
4.3
|
25.3
|
1.0
|
|
HB3
|
A:SER66
|
4.4
|
24.4
|
1.0
|
|
HB2
|
A:CYS64
|
4.4
|
22.6
|
1.0
|
|
N
|
A:GLY63
|
4.4
|
22.0
|
1.0
|
|
O
|
A:GLY63
|
4.6
|
23.3
|
1.0
|
|
H
|
A:CYS68
|
4.6
|
23.4
|
1.0
|
|
SG
|
A:CYS96
|
4.6
|
21.2
|
1.0
|
|
HH11
|
A:ARG98
|
4.6
|
26.6
|
1.0
|
|
HA
|
A:CYS64
|
4.7
|
23.0
|
1.0
|
|
HB
|
A:VAL235
|
4.7
|
24.5
|
1.0
|
|
N
|
A:SER66
|
4.8
|
21.2
|
1.0
|
|
HG23
|
A:VAL235
|
4.8
|
24.9
|
1.0
|
|
SG
|
A:CYS68
|
4.8
|
22.4
|
1.0
|
|
N
|
A:TRP67
|
4.8
|
21.5
|
1.0
|
|
CA
|
A:SER66
|
4.9
|
19.2
|
1.0
|
|
SG
|
A:CYS61
|
4.9
|
21.4
|
1.0
|
|
NE
|
A:ARG98
|
4.9
|
21.4
|
1.0
|
|
HB3
|
A:CYS61
|
4.9
|
28.6
|
1.0
|
|
HB2
|
A:ARG98
|
5.0
|
25.0
|
1.0
|
|
Iron binding site 2 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 2 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe901
b:21.6
occ:1.00
|
FE2
|
A:SF4901
|
0.0
|
21.6
|
1.0
|
|
S1
|
A:SF4901
|
2.3
|
21.4
|
1.0
|
|
S4
|
A:SF4901
|
2.3
|
21.6
|
1.0
|
|
S3
|
A:SF4901
|
2.3
|
21.0
|
1.0
|
|
SG
|
A:CYS96
|
2.4
|
21.2
|
1.0
|
|
FE3
|
A:SF4901
|
2.7
|
21.4
|
1.0
|
|
FE1
|
A:SF4901
|
2.7
|
21.6
|
1.0
|
|
FE4
|
A:SF4901
|
2.7
|
21.4
|
1.0
|
|
HB3
|
A:CYS96
|
3.1
|
21.2
|
1.0
|
|
CB
|
A:CYS96
|
3.4
|
17.7
|
1.0
|
|
HH21
|
A:ARG98
|
3.5
|
26.9
|
1.0
|
|
HB2
|
A:ARG98
|
3.5
|
25.0
|
1.0
|
|
H
|
A:CYS96
|
3.6
|
24.6
|
1.0
|
|
NH2
|
A:ARG98
|
3.7
|
22.4
|
1.0
|
|
S2
|
A:SF4901
|
3.9
|
20.8
|
1.0
|
|
HH22
|
A:ARG98
|
3.9
|
26.9
|
1.0
|
|
HE
|
A:ARG98
|
4.0
|
25.6
|
1.0
|
|
CZ
|
A:ARG98
|
4.0
|
22.2
|
1.0
|
|
H
|
A:ARG98
|
4.1
|
22.0
|
1.0
|
|
HB2
|
A:CYS96
|
4.1
|
21.2
|
1.0
|
|
HB
|
A:VAL235
|
4.1
|
24.5
|
1.0
|
|
NE
|
A:ARG98
|
4.2
|
21.4
|
1.0
|
|
CA
|
A:CYS96
|
4.2
|
18.2
|
1.0
|
|
N
|
A:CYS96
|
4.2
|
20.5
|
1.0
|
|
HG
|
A:SER236
|
4.4
|
27.1
|
1.0
|
|
H
|
A:GLN99
|
4.4
|
25.0
|
1.0
|
|
OG
|
A:SER236
|
4.4
|
22.6
|
1.0
|
|
CB
|
A:ARG98
|
4.4
|
20.8
|
1.0
|
|
C
|
A:CYS96
|
4.5
|
20.0
|
1.0
|
|
HZ1
|
A:LYS70
|
4.5
|
23.4
|
1.0
|
|
O
|
A:CYS96
|
4.6
|
20.6
|
1.0
|
|
SG
|
A:CYS64
|
4.6
|
22.9
|
1.0
|
|
HG
|
A:SER95
|
4.6
|
22.4
|
1.0
|
|
HB3
|
A:GLN99
|
4.7
|
20.6
|
1.0
|
|
N
|
A:GLN99
|
4.7
|
20.8
|
1.0
|
|
N
|
A:ARG98
|
4.7
|
18.3
|
1.0
|
|
NH1
|
A:ARG98
|
4.8
|
22.1
|
1.0
|
|
SG
|
A:CYS68
|
4.8
|
22.4
|
1.0
|
|
HB2
|
A:SER66
|
4.8
|
24.4
|
1.0
|
|
HB3
|
A:ARG98
|
4.8
|
25.0
|
1.0
|
|
OG
|
A:SER95
|
4.9
|
18.7
|
1.0
|
|
SG
|
A:CYS61
|
5.0
|
21.4
|
1.0
|
|
HH12
|
A:ARG98
|
5.0
|
26.6
|
1.0
|
|
CA
|
A:ARG98
|
5.0
|
16.2
|
1.0
|
|
Iron binding site 3 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 3 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe901
b:21.4
occ:1.00
|
FE3
|
A:SF4901
|
0.0
|
21.4
|
1.0
|
|
S4
|
A:SF4901
|
2.2
|
21.6
|
1.0
|
|
S1
|
A:SF4901
|
2.3
|
21.4
|
1.0
|
|
S2
|
A:SF4901
|
2.3
|
20.8
|
1.0
|
|
SG
|
A:CYS68
|
2.4
|
22.4
|
1.0
|
|
FE1
|
A:SF4901
|
2.7
|
21.6
|
1.0
|
|
FE2
|
A:SF4901
|
2.7
|
21.6
|
1.0
|
|
FE4
|
A:SF4901
|
2.7
|
21.4
|
1.0
|
|
HB2
|
A:CYS68
|
2.8
|
24.6
|
1.0
|
|
HG
|
A:SER236
|
3.2
|
27.1
|
1.0
|
|
CB
|
A:CYS68
|
3.2
|
20.5
|
1.0
|
|
HB2
|
A:SER66
|
3.2
|
24.4
|
1.0
|
|
H
|
A:CYS68
|
3.2
|
23.4
|
1.0
|
|
OG
|
A:SER236
|
3.7
|
22.6
|
1.0
|
|
HB3
|
A:SER66
|
3.8
|
24.4
|
1.0
|
|
S3
|
A:SF4901
|
3.8
|
21.0
|
1.0
|
|
HB3
|
A:CYS61
|
3.9
|
28.6
|
1.0
|
|
HB3
|
A:CYS68
|
3.9
|
24.6
|
1.0
|
|
HE2
|
A:LYS70
|
3.9
|
23.4
|
1.0
|
|
CB
|
A:SER66
|
3.9
|
20.4
|
1.0
|
|
N
|
A:CYS68
|
4.0
|
19.5
|
1.0
|
|
CA
|
A:CYS68
|
4.2
|
20.3
|
1.0
|
|
HZ1
|
A:LYS70
|
4.2
|
23.4
|
1.0
|
|
H
|
A:CYS96
|
4.5
|
24.6
|
1.0
|
|
H
|
A:SER236
|
4.6
|
24.7
|
1.0
|
|
H
|
A:TRP67
|
4.6
|
25.8
|
1.0
|
|
HB3
|
A:CYS96
|
4.6
|
21.2
|
1.0
|
|
CE
|
A:LYS70
|
4.7
|
19.5
|
1.0
|
|
SG
|
A:CYS64
|
4.7
|
22.9
|
1.0
|
|
CB
|
A:CYS61
|
4.7
|
23.9
|
1.0
|
|
OG
|
A:SER66
|
4.7
|
22.3
|
1.0
|
|
HA
|
A:CYS68
|
4.7
|
24.4
|
1.0
|
|
HE22
|
A:GLN234
|
4.7
|
26.8
|
1.0
|
|
NZ
|
A:LYS70
|
4.7
|
19.5
|
1.0
|
|
HZ3
|
A:LYS70
|
4.7
|
23.4
|
1.0
|
|
SG
|
A:CYS61
|
4.8
|
21.4
|
1.0
|
|
O
|
A:HOH1278
|
4.8
|
24.6
|
1.0
|
|
N
|
A:TRP67
|
4.8
|
21.5
|
1.0
|
|
HG
|
A:SER66
|
4.8
|
26.8
|
1.0
|
|
HB2
|
A:SER236
|
4.8
|
24.4
|
1.0
|
|
CB
|
A:SER236
|
4.9
|
20.3
|
1.0
|
|
HE3
|
A:LYS70
|
4.9
|
23.4
|
1.0
|
|
SG
|
A:CYS96
|
4.9
|
21.2
|
1.0
|
|
H
|
A:CYS64
|
4.9
|
27.9
|
1.0
|
|
HB
|
A:VAL235
|
4.9
|
24.5
|
1.0
|
|
C
|
A:SER66
|
5.0
|
24.0
|
1.0
|
|
Iron binding site 4 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 4 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe901
b:21.4
occ:1.00
|
FE4
|
A:SF4901
|
0.0
|
21.4
|
1.0
|
|
S3
|
A:SF4901
|
2.3
|
21.0
|
1.0
|
|
S2
|
A:SF4901
|
2.3
|
20.8
|
1.0
|
|
S1
|
A:SF4901
|
2.3
|
21.4
|
1.0
|
|
SG
|
A:CYS61
|
2.4
|
21.4
|
1.0
|
|
FE3
|
A:SF4901
|
2.7
|
21.4
|
1.0
|
|
FE2
|
A:SF4901
|
2.7
|
21.6
|
1.0
|
|
FE1
|
A:SF4901
|
2.8
|
21.6
|
1.0
|
|
HB3
|
A:CYS61
|
2.8
|
28.6
|
1.0
|
|
CB
|
A:CYS61
|
3.2
|
23.9
|
1.0
|
|
H
|
A:GLY63
|
3.2
|
26.4
|
1.0
|
|
HA3
|
A:GLY63
|
3.7
|
30.4
|
1.0
|
|
HB2
|
A:CYS61
|
3.7
|
28.6
|
1.0
|
|
HE3
|
A:LYS729
|
3.9
|
28.7
|
1.0
|
|
S4
|
A:SF4901
|
3.9
|
21.6
|
1.0
|
|
N
|
A:GLY63
|
3.9
|
22.0
|
1.0
|
|
H
|
A:CYS64
|
4.0
|
27.9
|
1.0
|
|
HE2
|
A:LYS70
|
4.0
|
23.4
|
1.0
|
|
HB2
|
A:CYS68
|
4.1
|
24.6
|
1.0
|
|
CA
|
A:GLY63
|
4.2
|
25.3
|
1.0
|
|
HE3
|
A:LYS70
|
4.2
|
23.4
|
1.0
|
|
H
|
A:CYS68
|
4.3
|
23.4
|
1.0
|
|
HA
|
A:GLN99
|
4.4
|
24.1
|
1.0
|
|
CA
|
A:CYS61
|
4.4
|
19.8
|
1.0
|
|
C
|
A:CYS61
|
4.4
|
22.1
|
1.0
|
|
HB2
|
A:ARG98
|
4.5
|
25.0
|
1.0
|
|
HZ1
|
A:LYS70
|
4.5
|
23.4
|
1.0
|
|
CE
|
A:LYS70
|
4.5
|
19.5
|
1.0
|
|
N
|
A:CYS64
|
4.6
|
23.3
|
1.0
|
|
N
|
A:GLN62
|
4.6
|
22.3
|
1.0
|
|
HB3
|
A:GLN99
|
4.6
|
20.6
|
1.0
|
|
H
|
A:GLN62
|
4.7
|
26.8
|
1.0
|
|
C
|
A:GLY63
|
4.8
|
23.4
|
1.0
|
|
O
|
A:CYS61
|
4.8
|
23.9
|
1.0
|
|
CE
|
A:LYS729
|
4.8
|
23.9
|
1.0
|
|
SG
|
A:CYS68
|
4.8
|
22.4
|
1.0
|
|
HA
|
A:CYS61
|
4.9
|
23.8
|
1.0
|
|
CB
|
A:CYS68
|
4.9
|
20.5
|
1.0
|
|
SG
|
A:CYS96
|
4.9
|
21.2
|
1.0
|
|
HB2
|
A:SER66
|
4.9
|
24.4
|
1.0
|
|
C
|
A:GLN62
|
5.0
|
22.2
|
1.0
|
|
N
|
A:GLN99
|
5.0
|
20.8
|
1.0
|
|
Iron binding site 5 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 5 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe301
b:23.7
occ:1.00
|
FE1
|
B:SF4301
|
0.0
|
23.7
|
1.0
|
|
S2
|
B:SF4301
|
2.3
|
23.5
|
1.0
|
|
S4
|
B:SF4301
|
2.3
|
23.9
|
1.0
|
|
S3
|
B:SF4301
|
2.3
|
24.7
|
1.0
|
|
SG
|
B:CYS15
|
2.4
|
22.2
|
1.0
|
|
FE3
|
B:SF4301
|
2.7
|
23.9
|
1.0
|
|
FE4
|
B:SF4301
|
2.7
|
24.1
|
1.0
|
|
FE2
|
B:SF4301
|
2.8
|
23.9
|
1.0
|
|
H
|
B:CYS15
|
2.8
|
26.0
|
1.0
|
|
H
|
B:GLY17
|
3.4
|
25.1
|
1.0
|
|
H
|
B:GLY16
|
3.4
|
24.4
|
1.0
|
|
HD2
|
B:PRO184
|
3.5
|
26.3
|
1.0
|
|
N
|
B:CYS15
|
3.6
|
21.6
|
1.0
|
|
CB
|
B:CYS15
|
3.8
|
21.7
|
1.0
|
|
HG22
|
B:VAL13
|
3.8
|
28.7
|
1.0
|
|
S1
|
B:SF4301
|
3.9
|
25.4
|
1.0
|
|
N
|
B:GLY16
|
4.0
|
20.3
|
1.0
|
|
H
|
B:VAL13
|
4.0
|
24.8
|
1.0
|
|
H
|
B:CYS18
|
4.0
|
25.7
|
1.0
|
|
H
|
B:GLY14
|
4.0
|
26.5
|
1.0
|
|
HB3
|
B:CYS15
|
4.0
|
26.0
|
1.0
|
|
HG23
|
B:VAL13
|
4.0
|
28.7
|
1.0
|
|
N
|
B:GLY17
|
4.1
|
20.9
|
1.0
|
|
CA
|
B:CYS15
|
4.1
|
21.9
|
1.0
|
|
CD
|
B:PRO184
|
4.3
|
21.9
|
1.0
|
|
CG2
|
B:VAL13
|
4.4
|
23.9
|
1.0
|
|
HD3
|
B:PRO184
|
4.4
|
26.3
|
1.0
|
|
C
|
B:CYS15
|
4.4
|
20.5
|
1.0
|
|
N
|
B:GLY14
|
4.4
|
22.1
|
1.0
|
|
HA3
|
B:GLY17
|
4.5
|
25.2
|
1.0
|
|
HA
|
B:CYS183
|
4.5
|
25.1
|
1.0
|
|
HB2
|
B:CYS15
|
4.6
|
26.0
|
1.0
|
|
C
|
B:GLY14
|
4.7
|
24.8
|
1.0
|
|
HA2
|
B:GLY14
|
4.7
|
29.4
|
1.0
|
|
SG
|
B:CYS18
|
4.7
|
24.6
|
1.0
|
|
HG2
|
B:PRO184
|
4.7
|
29.0
|
1.0
|
|
N
|
B:VAL13
|
4.8
|
20.6
|
1.0
|
|
HG3
|
B:PRO184
|
4.8
|
29.0
|
1.0
|
|
N
|
B:CYS18
|
4.8
|
21.4
|
1.0
|
|
O
|
A:HOH1295
|
4.8
|
21.7
|
1.0
|
|
SG
|
B:CYS12
|
4.8
|
21.8
|
1.0
|
|
CA
|
B:GLY17
|
4.8
|
21.0
|
1.0
|
|
HA
|
B:CYS12
|
4.8
|
25.6
|
1.0
|
|
SG
|
B:CYS183
|
4.8
|
23.2
|
1.0
|
|
CA
|
B:GLY14
|
4.9
|
24.5
|
1.0
|
|
CA
|
B:GLY16
|
4.9
|
20.4
|
1.0
|
|
CG
|
B:PRO184
|
4.9
|
24.1
|
1.0
|
|
C
|
B:GLY16
|
4.9
|
22.6
|
1.0
|
|
HG21
|
B:VAL13
|
4.9
|
28.7
|
1.0
|
|
HA2
|
B:GLY16
|
5.0
|
24.4
|
1.0
|
|
Iron binding site 6 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 6 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe301
b:23.9
occ:1.00
|
FE2
|
B:SF4301
|
0.0
|
23.9
|
1.0
|
|
S1
|
B:SF4301
|
2.3
|
25.4
|
1.0
|
|
S4
|
B:SF4301
|
2.3
|
23.9
|
1.0
|
|
S3
|
B:SF4301
|
2.3
|
24.7
|
1.0
|
|
SG
|
B:CYS12
|
2.4
|
21.8
|
1.0
|
|
FE3
|
B:SF4301
|
2.7
|
23.9
|
1.0
|
|
FE4
|
B:SF4301
|
2.7
|
24.1
|
1.0
|
|
FE1
|
B:SF4301
|
2.8
|
23.7
|
1.0
|
|
HA
|
B:CYS12
|
3.2
|
25.6
|
1.0
|
|
H
|
B:GLY14
|
3.2
|
26.5
|
1.0
|
|
CB
|
B:CYS12
|
3.4
|
22.8
|
1.0
|
|
H
|
B:VAL13
|
3.4
|
24.8
|
1.0
|
|
HB2
|
B:CYS12
|
3.4
|
27.4
|
1.0
|
|
HG3
|
B:PRO54
|
3.4
|
36.1
|
1.0
|
|
CA
|
B:CYS12
|
3.7
|
21.4
|
1.0
|
|
S2
|
B:SF4301
|
3.9
|
23.5
|
1.0
|
|
N
|
B:GLY14
|
4.0
|
22.1
|
1.0
|
|
N
|
B:VAL13
|
4.0
|
20.6
|
1.0
|
|
H
|
B:CYS15
|
4.0
|
26.0
|
1.0
|
|
HA2
|
B:GLY14
|
4.1
|
29.4
|
1.0
|
|
HE1
|
B:TYR52
|
4.2
|
27.4
|
1.0
|
|
HB3
|
B:CYS12
|
4.2
|
27.4
|
1.0
|
|
C
|
B:CYS12
|
4.3
|
17.8
|
1.0
|
|
HB3
|
B:ALA187
|
4.4
|
29.8
|
1.0
|
|
CG
|
B:PRO54
|
4.4
|
30.1
|
1.0
|
|
CA
|
B:GLY14
|
4.5
|
24.5
|
1.0
|
|
HG22
|
B:VAL13
|
4.6
|
28.7
|
1.0
|
|
HD3
|
B:PRO54
|
4.7
|
30.2
|
1.0
|
|
HD1
|
B:TYR52
|
4.7
|
24.5
|
1.0
|
|
HB3
|
B:PRO54
|
4.7
|
28.5
|
1.0
|
|
HG2
|
B:PRO54
|
4.7
|
36.1
|
1.0
|
|
CE1
|
B:TYR52
|
4.7
|
22.8
|
1.0
|
|
H
|
B:GLY16
|
4.7
|
24.4
|
1.0
|
|
N
|
B:CYS15
|
4.7
|
21.6
|
1.0
|
|
HH11
|
B:ARG188
|
4.8
|
28.8
|
1.0
|
|
SG
|
B:CYS183
|
4.8
|
23.2
|
1.0
|
|
C
|
B:VAL13
|
4.9
|
22.4
|
1.0
|
|
SG
|
B:CYS18
|
4.9
|
24.6
|
1.0
|
|
HB2
|
B:ALA187
|
4.9
|
29.8
|
1.0
|
|
HD2
|
B:ARG188
|
5.0
|
33.3
|
1.0
|
|
N
|
B:CYS12
|
5.0
|
20.3
|
1.0
|
|
CD1
|
B:TYR52
|
5.0
|
20.4
|
1.0
|
|
Iron binding site 7 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 7 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe301
b:23.9
occ:1.00
|
FE3
|
B:SF4301
|
0.0
|
23.9
|
1.0
|
|
S2
|
B:SF4301
|
2.3
|
23.5
|
1.0
|
|
S4
|
B:SF4301
|
2.3
|
23.9
|
1.0
|
|
S1
|
B:SF4301
|
2.3
|
25.4
|
1.0
|
|
SG
|
B:CYS183
|
2.4
|
23.2
|
1.0
|
|
FE2
|
B:SF4301
|
2.7
|
23.9
|
1.0
|
|
FE4
|
B:SF4301
|
2.7
|
24.1
|
1.0
|
|
FE1
|
B:SF4301
|
2.7
|
23.7
|
1.0
|
|
HB2
|
B:CYS183
|
3.1
|
26.2
|
1.0
|
|
HD2
|
B:PRO184
|
3.1
|
26.3
|
1.0
|
|
CB
|
B:CYS183
|
3.2
|
21.8
|
1.0
|
|
HA
|
B:CYS183
|
3.3
|
25.1
|
1.0
|
|
HB3
|
B:ALA187
|
3.6
|
29.8
|
1.0
|
|
CA
|
B:CYS183
|
3.8
|
20.9
|
1.0
|
|
HD2
|
B:ARG188
|
3.8
|
33.3
|
1.0
|
|
S3
|
B:SF4301
|
3.9
|
24.7
|
1.0
|
|
CD
|
B:PRO184
|
4.1
|
21.9
|
1.0
|
|
HB3
|
B:CYS183
|
4.1
|
26.2
|
1.0
|
|
HA
|
B:CYS12
|
4.1
|
25.6
|
1.0
|
|
HG3
|
B:ARG188
|
4.2
|
35.9
|
1.0
|
|
HB2
|
B:ALA187
|
4.3
|
29.8
|
1.0
|
|
HB3
|
B:CYS18
|
4.4
|
25.1
|
1.0
|
|
CB
|
B:ALA187
|
4.4
|
24.8
|
1.0
|
|
H
|
B:ALA187
|
4.4
|
25.9
|
1.0
|
|
H
|
B:SER185
|
4.5
|
26.4
|
1.0
|
|
HD3
|
B:PRO184
|
4.5
|
26.3
|
1.0
|
|
C
|
B:CYS183
|
4.5
|
22.1
|
1.0
|
|
CD
|
B:ARG188
|
4.5
|
27.7
|
1.0
|
|
N
|
B:PRO184
|
4.6
|
20.5
|
1.0
|
|
HD3
|
B:ARG188
|
4.6
|
33.3
|
1.0
|
|
H
|
B:VAL13
|
4.6
|
24.8
|
1.0
|
|
OG
|
B:SER185
|
4.7
|
26.2
|
1.0
|
|
HG
|
B:SER185
|
4.7
|
31.4
|
1.0
|
|
H
|
B:CYS18
|
4.7
|
25.7
|
1.0
|
|
HH11
|
B:ARG188
|
4.7
|
28.8
|
1.0
|
|
HG2
|
B:PRO184
|
4.8
|
29.0
|
1.0
|
|
SG
|
B:CYS15
|
4.9
|
22.2
|
1.0
|
|
SG
|
B:CYS12
|
4.9
|
21.8
|
1.0
|
|
CG
|
B:ARG188
|
4.9
|
29.9
|
1.0
|
|
SG
|
B:CYS18
|
4.9
|
24.6
|
1.0
|
|
HB1
|
B:ALA187
|
5.0
|
29.8
|
1.0
|
|
N
|
B:CYS183
|
5.0
|
20.9
|
1.0
|
|
HG22
|
B:VAL13
|
5.0
|
28.7
|
1.0
|
|
HB2
|
B:CYS12
|
5.0
|
27.4
|
1.0
|
|
Iron binding site 8 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 8 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe301
b:24.1
occ:1.00
|
FE4
|
B:SF4301
|
0.0
|
24.1
|
1.0
|
|
S3
|
B:SF4301
|
2.3
|
24.7
|
1.0
|
|
S1
|
B:SF4301
|
2.3
|
25.4
|
1.0
|
|
S2
|
B:SF4301
|
2.3
|
23.5
|
1.0
|
|
SG
|
B:CYS18
|
2.4
|
24.6
|
1.0
|
|
FE3
|
B:SF4301
|
2.7
|
23.9
|
1.0
|
|
FE2
|
B:SF4301
|
2.7
|
23.9
|
1.0
|
|
FE1
|
B:SF4301
|
2.7
|
23.7
|
1.0
|
|
HB3
|
B:CYS18
|
3.0
|
25.1
|
1.0
|
|
H
|
B:CYS18
|
3.0
|
25.7
|
1.0
|
|
CB
|
B:CYS18
|
3.3
|
20.9
|
1.0
|
|
HH11
|
B:ARG188
|
3.5
|
28.8
|
1.0
|
|
HD2
|
B:ARG188
|
3.6
|
33.3
|
1.0
|
|
N
|
B:CYS18
|
3.8
|
21.4
|
1.0
|
|
S4
|
B:SF4301
|
3.9
|
23.9
|
1.0
|
|
HG3
|
B:PRO54
|
4.0
|
36.1
|
1.0
|
|
HB2
|
B:CYS18
|
4.0
|
25.1
|
1.0
|
|
H
|
B:GLY16
|
4.0
|
24.4
|
1.0
|
|
HB3
|
B:PRO54
|
4.1
|
28.5
|
1.0
|
|
NH1
|
B:ARG188
|
4.1
|
24.0
|
1.0
|
|
CA
|
B:CYS18
|
4.2
|
24.3
|
1.0
|
|
H
|
B:GLY17
|
4.3
|
25.1
|
1.0
|
|
O
|
B:HOH442
|
4.3
|
24.4
|
1.0
|
|
HH12
|
B:ARG188
|
4.3
|
28.8
|
1.0
|
|
HE1
|
B:TYR52
|
4.4
|
27.4
|
1.0
|
|
HB2
|
B:CYS183
|
4.5
|
26.2
|
1.0
|
|
CD
|
B:ARG188
|
4.5
|
27.7
|
1.0
|
|
N
|
B:GLY17
|
4.6
|
20.9
|
1.0
|
|
HA2
|
B:GLY16
|
4.6
|
24.4
|
1.0
|
|
HH
|
B:TYR52
|
4.6
|
35.3
|
1.0
|
|
H
|
B:CYS15
|
4.7
|
26.0
|
1.0
|
|
N
|
B:GLY16
|
4.7
|
20.3
|
1.0
|
|
HA
|
B:CYS18
|
4.8
|
29.2
|
1.0
|
|
CB
|
B:PRO54
|
4.8
|
23.8
|
1.0
|
|
CG
|
B:PRO54
|
4.8
|
30.1
|
1.0
|
|
SG
|
B:CYS15
|
4.8
|
22.2
|
1.0
|
|
HA
|
B:CYS183
|
4.8
|
25.1
|
1.0
|
|
H
|
B:SER19
|
4.8
|
23.6
|
1.0
|
|
SG
|
B:CYS12
|
4.8
|
21.8
|
1.0
|
|
HD3
|
B:ARG188
|
4.9
|
33.3
|
1.0
|
|
SG
|
B:CYS183
|
4.9
|
23.2
|
1.0
|
|
C
|
B:GLY16
|
4.9
|
22.6
|
1.0
|
|
CA
|
B:GLY16
|
4.9
|
20.4
|
1.0
|
|
C
|
B:GLY17
|
5.0
|
21.1
|
1.0
|
|
CZ
|
B:ARG188
|
5.0
|
22.3
|
1.0
|
|
Iron binding site 9 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 9 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe302
b:20.5
occ:1.00
|
FE1
|
B:SF4302
|
0.0
|
20.5
|
1.0
|
|
S3
|
B:SF4302
|
2.3
|
21.4
|
1.0
|
|
S4
|
B:SF4302
|
2.3
|
21.2
|
1.0
|
|
S2
|
B:SF4302
|
2.3
|
21.4
|
1.0
|
|
SG
|
B:CYS167
|
2.3
|
20.8
|
1.0
|
|
FE3
|
B:SF4302
|
2.7
|
21.2
|
1.0
|
|
FE2
|
B:SF4302
|
2.7
|
20.8
|
1.0
|
|
FE4
|
B:SF4302
|
2.7
|
21.1
|
1.0
|
|
H
|
B:CYS167
|
3.1
|
23.1
|
1.0
|
|
N
|
B:CYS167
|
3.3
|
19.2
|
1.0
|
|
HB2
|
B:CYS167
|
3.3
|
24.2
|
1.0
|
|
CB
|
B:CYS167
|
3.4
|
20.2
|
1.0
|
|
HD21
|
B:ASN26
|
3.4
|
27.8
|
1.0
|
|
HB3
|
B:PRO177
|
3.4
|
28.3
|
1.0
|
|
CA
|
B:CYS167
|
3.8
|
17.7
|
1.0
|
|
HA
|
B:CYS167
|
3.9
|
21.2
|
1.0
|
|
S1
|
B:SF4302
|
3.9
|
21.5
|
1.0
|
|
H
|
B:ALA178
|
3.9
|
26.7
|
1.0
|
|
HA
|
B:PHE166
|
3.9
|
28.6
|
1.0
|
|
C
|
B:PHE166
|
4.0
|
24.4
|
1.0
|
|
ND2
|
B:ASN26
|
4.2
|
23.2
|
1.0
|
|
H
|
B:CYS179
|
4.2
|
25.4
|
1.0
|
|
HB3
|
B:CYS167
|
4.2
|
24.2
|
1.0
|
|
CB
|
B:PRO177
|
4.3
|
23.6
|
1.0
|
|
HA
|
B:PRO177
|
4.3
|
29.5
|
1.0
|
|
H
|
B:PHE166
|
4.4
|
28.4
|
1.0
|
|
CA
|
B:PHE166
|
4.4
|
23.8
|
1.0
|
|
HD22
|
B:ASN26
|
4.4
|
27.8
|
1.0
|
|
HB3
|
B:ALA178
|
4.5
|
24.7
|
1.0
|
|
N
|
B:ALA178
|
4.5
|
22.2
|
1.0
|
|
N
|
B:PHE166
|
4.6
|
23.6
|
1.0
|
|
SG
|
B:CYS179
|
4.6
|
21.5
|
1.0
|
|
HB2
|
B:PRO177
|
4.6
|
28.3
|
1.0
|
|
HG2
|
B:GLU25
|
4.7
|
25.6
|
1.0
|
|
O
|
B:PHE166
|
4.7
|
25.0
|
1.0
|
|
CA
|
B:PRO177
|
4.8
|
24.6
|
1.0
|
|
H
|
B:THR165
|
4.8
|
25.5
|
1.0
|
|
SG
|
B:CYS22
|
4.8
|
20.2
|
1.0
|
|
HE3
|
B:TRP34
|
4.9
|
26.0
|
1.0
|
|
SG
|
B:CYS164
|
4.9
|
21.9
|
1.0
|
|
HB3
|
B:CYS179
|
5.0
|
25.6
|
1.0
|
|
Iron binding site 10 out
of 40 in 6cz9
Go back to
Iron Binding Sites List in 6cz9
Iron binding site 10 out
of 40 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe302
b:20.8
occ:1.00
|
FE2
|
B:SF4302
|
0.0
|
20.8
|
1.0
|
|
S4
|
B:SF4302
|
2.3
|
21.2
|
1.0
|
|
S1
|
B:SF4302
|
2.3
|
21.5
|
1.0
|
|
S3
|
B:SF4302
|
2.3
|
21.4
|
1.0
|
|
SG
|
B:CYS22
|
2.3
|
20.2
|
1.0
|
|
FE4
|
B:SF4302
|
2.7
|
21.1
|
1.0
|
|
FE3
|
B:SF4302
|
2.7
|
21.2
|
1.0
|
|
FE1
|
B:SF4302
|
2.7
|
20.5
|
1.0
|
|
HB2
|
B:CYS22
|
3.0
|
24.2
|
1.0
|
|
CB
|
B:CYS22
|
3.2
|
20.1
|
1.0
|
|
HD22
|
B:ASN26
|
3.4
|
27.8
|
1.0
|
|
HD21
|
B:ASN26
|
3.4
|
27.8
|
1.0
|
|
HE3
|
B:TRP34
|
3.6
|
26.0
|
1.0
|
|
ND2
|
B:ASN26
|
3.7
|
23.2
|
1.0
|
|
HA
|
B:CYS22
|
3.7
|
24.5
|
1.0
|
|
HB2
|
B:SER35
|
3.8
|
28.4
|
1.0
|
|
HB2
|
B:TRP34
|
3.8
|
21.8
|
1.0
|
|
S2
|
B:SF4302
|
3.9
|
21.4
|
1.0
|
|
HB3
|
B:CYS22
|
4.0
|
24.2
|
1.0
|
|
CA
|
B:CYS22
|
4.1
|
20.4
|
1.0
|
|
HB2
|
B:CYS164
|
4.2
|
23.7
|
1.0
|
|
H
|
B:SER35
|
4.3
|
26.6
|
1.0
|
|
HB3
|
B:TRP34
|
4.3
|
21.8
|
1.0
|
|
HB3
|
B:CYS179
|
4.4
|
25.6
|
1.0
|
|
HA
|
B:CYS164
|
4.4
|
25.4
|
1.0
|
|
HB3
|
B:SER35
|
4.5
|
28.4
|
1.0
|
|
CB
|
B:TRP34
|
4.5
|
18.2
|
1.0
|
|
CE3
|
B:TRP34
|
4.5
|
21.6
|
1.0
|
|
CB
|
B:SER35
|
4.5
|
23.7
|
1.0
|
|
N
|
B:SER35
|
4.7
|
22.1
|
1.0
|
|
SG
|
B:CYS167
|
4.7
|
20.8
|
1.0
|
|
SG
|
B:CYS164
|
4.8
|
21.9
|
1.0
|
|
CB
|
B:CYS164
|
4.8
|
19.7
|
1.0
|
|
H
|
B:CYS179
|
4.9
|
25.4
|
1.0
|
|
CG
|
B:ASN26
|
4.9
|
22.7
|
1.0
|
|
SG
|
B:CYS179
|
5.0
|
21.5
|
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: Tue Aug 6 16:04:56 2024
|
