Iron in PDB 5zdp: Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Protein crystallography data
The structure of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol, PDB code: 5zdp
was solved by
T.Shiba,
D.K.Inaoka,
G.Takahashi,
C.Tsuge,
Y.Kido,
L.Young,
S.Ueda,
E.O.Balogun,
T.Nara,
T.Honma,
A.Tanaka,
M.Inoue,
H.Saimoto,
S.Harada,
A.L.Moore,
K.Kita,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.32 /
2.71
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
259.501,
63.109,
138.273,
90.00,
122.21,
90.00
|
R / Rfree (%)
|
19.2 /
24.9
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
(pdb code 5zdp). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol, PDB code: 5zdp:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 5zdp
Go back to
Iron Binding Sites List in 5zdp
Iron binding site 1 out
of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:44.9
occ:1.00
|
OE1
|
A:GLU123
|
1.8
|
34.1
|
1.0
|
OE1
|
A:GLU266
|
1.8
|
50.2
|
1.0
|
OE1
|
A:GLU162
|
2.0
|
34.8
|
1.0
|
O
|
A:OH503
|
2.2
|
16.1
|
1.0
|
OE2
|
A:GLU123
|
2.3
|
34.5
|
1.0
|
CD
|
A:GLU123
|
2.3
|
35.4
|
1.0
|
ND1
|
A:HIS165
|
2.7
|
39.7
|
1.0
|
CD
|
A:GLU266
|
2.9
|
43.0
|
1.0
|
CD
|
A:GLU162
|
3.0
|
37.5
|
1.0
|
OE2
|
A:GLU266
|
3.2
|
40.9
|
1.0
|
OE2
|
A:GLU162
|
3.4
|
36.0
|
1.0
|
CE1
|
A:HIS165
|
3.4
|
40.8
|
1.0
|
FE
|
A:FE502
|
3.5
|
38.9
|
1.0
|
CG
|
A:HIS165
|
3.8
|
37.3
|
1.0
|
CG
|
A:GLU123
|
3.8
|
37.6
|
1.0
|
CAK
|
A:9AU505
|
3.9
|
65.8
|
1.0
|
CG
|
A:GLU266
|
4.2
|
39.1
|
1.0
|
CB
|
A:HIS165
|
4.2
|
36.7
|
1.0
|
CAJ
|
A:9AU505
|
4.3
|
61.5
|
1.0
|
OH
|
A:TYR220
|
4.3
|
31.2
|
1.0
|
CB
|
A:ALA126
|
4.4
|
38.9
|
1.0
|
CG
|
A:GLU162
|
4.4
|
35.5
|
1.0
|
CE2
|
A:TYR220
|
4.6
|
30.8
|
1.0
|
NE2
|
A:HIS165
|
4.7
|
38.2
|
1.0
|
CB
|
A:GLU162
|
4.7
|
36.4
|
1.0
|
CA
|
A:GLU162
|
4.8
|
36.2
|
1.0
|
CG2
|
A:ILE262
|
4.8
|
32.8
|
1.0
|
CB
|
A:GLU123
|
4.8
|
38.1
|
1.0
|
CD2
|
A:HIS165
|
4.9
|
36.9
|
1.0
|
O
|
A:GLU162
|
4.9
|
42.6
|
1.0
|
CAM
|
A:9AU505
|
5.0
|
62.2
|
1.0
|
CZ
|
A:TYR220
|
5.0
|
31.4
|
1.0
|
|
Iron binding site 2 out
of 8 in 5zdp
Go back to
Iron Binding Sites List in 5zdp
Iron binding site 2 out
of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe502
b:38.9
occ:1.00
|
OE2
|
A:GLU162
|
1.8
|
36.0
|
1.0
|
OE2
|
A:GLU266
|
2.2
|
40.9
|
1.0
|
OE2
|
A:GLU213
|
2.3
|
37.6
|
1.0
|
O
|
A:OH503
|
2.5
|
16.1
|
1.0
|
OE1
|
A:GLU213
|
2.5
|
36.1
|
1.0
|
CD
|
A:GLU213
|
2.7
|
37.0
|
1.0
|
CD
|
A:GLU162
|
2.9
|
37.5
|
1.0
|
O2
|
A:OXY504
|
2.9
|
29.9
|
1.0
|
O1
|
A:OXY504
|
2.9
|
30.8
|
1.0
|
CD
|
A:GLU266
|
3.1
|
43.0
|
1.0
|
OE1
|
A:GLU162
|
3.4
|
34.8
|
1.0
|
OE1
|
A:GLU266
|
3.5
|
50.2
|
1.0
|
FE
|
A:FE501
|
3.5
|
44.9
|
1.0
|
ND1
|
A:HIS269
|
3.9
|
43.2
|
1.0
|
CB
|
A:ALA126
|
4.0
|
38.9
|
1.0
|
CG
|
A:GLU162
|
4.1
|
35.5
|
1.0
|
CG
|
A:GLU213
|
4.2
|
35.1
|
1.0
|
CG
|
A:GLU266
|
4.4
|
39.1
|
1.0
|
CB
|
A:GLU266
|
4.6
|
40.1
|
1.0
|
CE1
|
A:HIS269
|
4.7
|
42.1
|
1.0
|
CAK
|
A:9AU505
|
4.8
|
65.8
|
1.0
|
OE2
|
A:GLU123
|
4.8
|
34.5
|
1.0
|
CA
|
A:GLU266
|
4.8
|
39.6
|
1.0
|
CG
|
A:HIS269
|
4.9
|
40.3
|
1.0
|
CB
|
A:ALA216
|
4.9
|
36.9
|
1.0
|
CAM
|
A:9AU505
|
5.0
|
62.2
|
1.0
|
|
Iron binding site 3 out
of 8 in 5zdp
Go back to
Iron Binding Sites List in 5zdp
Iron binding site 3 out
of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe501
b:28.6
occ:1.00
|
OE1
|
B:GLU162
|
1.8
|
23.9
|
1.0
|
OE1
|
B:GLU266
|
1.8
|
30.9
|
1.0
|
O
|
B:OH503
|
2.2
|
40.4
|
1.0
|
ND1
|
B:HIS165
|
2.4
|
23.5
|
1.0
|
OE2
|
B:GLU123
|
2.4
|
28.0
|
1.0
|
OE1
|
B:GLU123
|
2.6
|
26.4
|
1.0
|
CD
|
B:GLU266
|
2.8
|
28.9
|
1.0
|
CD
|
B:GLU123
|
2.9
|
27.8
|
1.0
|
CE1
|
B:HIS165
|
2.9
|
23.7
|
1.0
|
CD
|
B:GLU162
|
3.0
|
22.9
|
1.0
|
OE2
|
B:GLU266
|
3.0
|
27.7
|
1.0
|
FE
|
B:FE502
|
3.1
|
27.1
|
1.0
|
CG
|
B:HIS165
|
3.5
|
24.8
|
1.0
|
CAK
|
B:9AU505
|
3.6
|
44.1
|
1.0
|
OE2
|
B:GLU162
|
3.6
|
22.0
|
1.0
|
CB
|
B:ALA126
|
4.1
|
38.4
|
1.0
|
CAJ
|
B:9AU505
|
4.1
|
42.4
|
1.0
|
CB
|
B:HIS165
|
4.1
|
25.2
|
1.0
|
NE2
|
B:HIS165
|
4.1
|
23.8
|
1.0
|
CG
|
B:GLU266
|
4.1
|
29.7
|
1.0
|
CG
|
B:GLU162
|
4.2
|
21.5
|
1.0
|
CG
|
B:GLU123
|
4.3
|
26.2
|
1.0
|
CB
|
B:GLU162
|
4.3
|
20.8
|
1.0
|
CD2
|
B:HIS165
|
4.4
|
24.0
|
1.0
|
CA
|
B:GLU162
|
4.4
|
21.0
|
1.0
|
CAM
|
B:9AU505
|
4.7
|
43.5
|
1.0
|
OH
|
B:TYR220
|
4.8
|
38.1
|
1.0
|
CE2
|
B:TYR220
|
5.0
|
39.2
|
1.0
|
|
Iron binding site 4 out
of 8 in 5zdp
Go back to
Iron Binding Sites List in 5zdp
Iron binding site 4 out
of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe502
b:27.1
occ:1.00
|
O
|
B:OH503
|
1.7
|
40.4
|
1.0
|
OE2
|
B:GLU266
|
2.0
|
27.7
|
1.0
|
OE1
|
B:GLU213
|
2.2
|
20.1
|
1.0
|
OE2
|
B:GLU162
|
2.3
|
22.0
|
1.0
|
OE2
|
B:GLU213
|
2.4
|
22.0
|
1.0
|
CD
|
B:GLU213
|
2.6
|
22.8
|
1.0
|
CD
|
B:GLU266
|
2.8
|
28.9
|
1.0
|
OE1
|
B:GLU162
|
2.9
|
23.9
|
1.0
|
CD
|
B:GLU162
|
2.9
|
22.9
|
1.0
|
OE1
|
B:GLU266
|
3.0
|
30.9
|
1.0
|
FE
|
B:FE501
|
3.1
|
28.6
|
1.0
|
O2
|
B:OXY504
|
3.2
|
48.4
|
1.0
|
O1
|
B:OXY504
|
3.3
|
43.2
|
1.0
|
CAK
|
B:9AU505
|
4.0
|
44.1
|
1.0
|
CG
|
B:GLU266
|
4.1
|
29.7
|
1.0
|
CG
|
B:GLU213
|
4.1
|
25.2
|
1.0
|
CB
|
B:ALA126
|
4.1
|
38.4
|
1.0
|
CAM
|
B:9AU505
|
4.2
|
43.5
|
1.0
|
ND1
|
B:HIS269
|
4.3
|
27.2
|
1.0
|
CG
|
B:GLU162
|
4.4
|
21.5
|
1.0
|
CB
|
B:GLU266
|
4.5
|
30.8
|
1.0
|
CB
|
B:ALA216
|
4.5
|
29.3
|
1.0
|
CA
|
B:GLU266
|
4.9
|
30.1
|
1.0
|
|
Iron binding site 5 out
of 8 in 5zdp
Go back to
Iron Binding Sites List in 5zdp
Iron binding site 5 out
of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe501
b:49.6
occ:1.00
|
O
|
C:OH503
|
1.7
|
24.2
|
1.0
|
OE1
|
C:GLU123
|
2.1
|
39.6
|
1.0
|
OE2
|
C:GLU123
|
2.1
|
39.9
|
1.0
|
OE1
|
C:GLU162
|
2.2
|
37.1
|
1.0
|
OE1
|
C:GLU266
|
2.3
|
28.9
|
1.0
|
CD
|
C:GLU123
|
2.4
|
41.1
|
1.0
|
CAK
|
C:9AU505
|
3.0
|
58.4
|
1.0
|
CD
|
C:GLU266
|
3.0
|
29.5
|
1.0
|
OE2
|
C:GLU266
|
3.2
|
27.6
|
1.0
|
ND1
|
C:HIS165
|
3.2
|
32.3
|
1.0
|
CD
|
C:GLU162
|
3.2
|
36.5
|
1.0
|
CAJ
|
C:9AU505
|
3.3
|
56.2
|
1.0
|
FE
|
C:FE502
|
3.3
|
35.2
|
1.0
|
OE2
|
C:GLU162
|
3.6
|
36.5
|
1.0
|
CG
|
C:GLU123
|
3.9
|
41.8
|
1.0
|
CE1
|
C:HIS165
|
4.0
|
33.0
|
1.0
|
CB
|
C:ALA126
|
4.1
|
46.1
|
1.0
|
CAM
|
C:9AU505
|
4.2
|
58.8
|
1.0
|
CG
|
C:HIS165
|
4.3
|
34.2
|
1.0
|
OH
|
C:TYR220
|
4.3
|
40.0
|
1.0
|
CG
|
C:GLU266
|
4.3
|
27.4
|
1.0
|
CE2
|
C:TYR220
|
4.5
|
39.0
|
1.0
|
CG
|
C:GLU162
|
4.6
|
33.5
|
1.0
|
CB
|
C:HIS165
|
4.6
|
35.8
|
1.0
|
CAL
|
C:9AU505
|
4.6
|
56.4
|
1.0
|
O1
|
C:OXY504
|
4.7
|
50.6
|
1.0
|
CB
|
C:GLU123
|
4.8
|
42.6
|
1.0
|
CB
|
C:GLU162
|
4.8
|
32.9
|
1.0
|
CA
|
C:GLU123
|
4.9
|
43.4
|
1.0
|
OE1
|
C:GLU213
|
4.9
|
29.7
|
1.0
|
CZ
|
C:TYR220
|
4.9
|
38.0
|
1.0
|
|
Iron binding site 6 out
of 8 in 5zdp
Go back to
Iron Binding Sites List in 5zdp
Iron binding site 6 out
of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe502
b:35.2
occ:1.00
|
O
|
C:OH503
|
1.9
|
24.2
|
1.0
|
OE1
|
C:GLU213
|
2.0
|
29.7
|
1.0
|
OE2
|
C:GLU213
|
2.0
|
29.5
|
1.0
|
OE2
|
C:GLU162
|
2.1
|
36.5
|
1.0
|
OE2
|
C:GLU266
|
2.2
|
27.6
|
1.0
|
CD
|
C:GLU213
|
2.3
|
32.2
|
1.0
|
O2
|
C:OXY504
|
2.3
|
48.0
|
1.0
|
O1
|
C:OXY504
|
2.5
|
50.6
|
1.0
|
CD
|
C:GLU162
|
3.0
|
36.5
|
1.0
|
OE1
|
C:GLU162
|
3.2
|
37.1
|
1.0
|
CD
|
C:GLU266
|
3.3
|
29.5
|
1.0
|
FE
|
C:FE501
|
3.3
|
49.6
|
1.0
|
CG
|
C:GLU213
|
3.8
|
32.9
|
1.0
|
OE1
|
C:GLU266
|
3.8
|
28.9
|
1.0
|
CAK
|
C:9AU505
|
3.9
|
58.4
|
1.0
|
CB
|
C:ALA126
|
4.1
|
46.1
|
1.0
|
ND1
|
C:HIS269
|
4.2
|
29.7
|
1.0
|
CAM
|
C:9AU505
|
4.3
|
58.8
|
1.0
|
CG
|
C:GLU162
|
4.4
|
33.5
|
1.0
|
CG
|
C:GLU266
|
4.5
|
27.4
|
1.0
|
OE2
|
C:GLU123
|
4.7
|
39.9
|
1.0
|
CB
|
C:ALA216
|
4.7
|
41.3
|
1.0
|
CB
|
C:GLU213
|
4.7
|
33.5
|
1.0
|
CB
|
C:GLU266
|
4.7
|
27.9
|
1.0
|
CAJ
|
C:9AU505
|
4.9
|
56.2
|
1.0
|
CA
|
C:GLU266
|
5.0
|
28.0
|
1.0
|
CA
|
C:GLU213
|
5.0
|
32.5
|
1.0
|
|
Iron binding site 7 out
of 8 in 5zdp
Go back to
Iron Binding Sites List in 5zdp
Iron binding site 7 out
of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:51.2
occ:1.00
|
OE1
|
D:GLU266
|
1.8
|
42.2
|
1.0
|
O
|
D:OH503
|
2.1
|
14.3
|
1.0
|
OE2
|
D:GLU123
|
2.1
|
48.5
|
1.0
|
OE1
|
D:GLU162
|
2.2
|
56.6
|
1.0
|
OE1
|
D:GLU123
|
2.6
|
47.7
|
1.0
|
CD
|
D:GLU123
|
2.7
|
50.2
|
1.0
|
ND1
|
D:HIS165
|
2.8
|
42.8
|
1.0
|
CD
|
D:GLU266
|
2.8
|
45.7
|
1.0
|
CD
|
D:GLU162
|
3.0
|
53.3
|
1.0
|
OE2
|
D:GLU266
|
3.3
|
41.9
|
1.0
|
OE2
|
D:GLU162
|
3.4
|
60.2
|
1.0
|
FE
|
D:FE502
|
3.5
|
56.1
|
1.0
|
CE1
|
D:HIS165
|
3.6
|
42.7
|
1.0
|
CG
|
D:HIS165
|
3.7
|
43.4
|
1.0
|
CAK
|
D:9AU505
|
4.0
|
79.2
|
1.0
|
CB
|
D:HIS165
|
4.1
|
41.5
|
1.0
|
CG
|
D:GLU266
|
4.1
|
47.5
|
1.0
|
CG
|
D:GLU123
|
4.2
|
52.6
|
1.0
|
CG
|
D:GLU162
|
4.2
|
48.4
|
1.0
|
CB
|
D:ALA126
|
4.3
|
44.2
|
1.0
|
CB
|
D:GLU162
|
4.3
|
46.5
|
1.0
|
CA
|
D:GLU162
|
4.3
|
43.3
|
1.0
|
CAJ
|
D:9AU505
|
4.6
|
77.1
|
1.0
|
NE2
|
D:HIS165
|
4.6
|
43.1
|
1.0
|
OH
|
D:TYR220
|
4.7
|
64.1
|
1.0
|
CD2
|
D:HIS165
|
4.8
|
42.5
|
1.0
|
CB
|
D:GLU123
|
4.9
|
52.5
|
1.0
|
O
|
D:GLU162
|
4.9
|
48.8
|
1.0
|
CA
|
D:GLU123
|
5.0
|
49.5
|
1.0
|
|
Iron binding site 8 out
of 8 in 5zdp
Go back to
Iron Binding Sites List in 5zdp
Iron binding site 8 out
of 8 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ferulenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe502
b:56.1
occ:1.00
|
OE2
|
D:GLU162
|
1.9
|
60.2
|
1.0
|
OE2
|
D:GLU266
|
2.1
|
41.9
|
1.0
|
O
|
D:OH503
|
2.3
|
14.3
|
1.0
|
OE2
|
D:GLU213
|
2.3
|
60.6
|
1.0
|
OE1
|
D:GLU213
|
2.9
|
67.3
|
1.0
|
O1
|
D:OXY504
|
2.9
|
48.7
|
1.0
|
CD
|
D:GLU213
|
2.9
|
63.5
|
1.0
|
CD
|
D:GLU162
|
3.0
|
53.3
|
1.0
|
O2
|
D:OXY504
|
3.0
|
45.6
|
1.0
|
CD
|
D:GLU266
|
3.0
|
45.7
|
1.0
|
OE1
|
D:GLU266
|
3.4
|
42.2
|
1.0
|
OE1
|
D:GLU162
|
3.5
|
56.6
|
1.0
|
FE
|
D:FE501
|
3.5
|
51.2
|
1.0
|
CB
|
D:ALA126
|
3.9
|
44.2
|
1.0
|
CG
|
D:GLU162
|
4.2
|
48.4
|
1.0
|
CG
|
D:GLU266
|
4.3
|
47.5
|
1.0
|
CG
|
D:GLU213
|
4.3
|
62.2
|
1.0
|
ND1
|
D:HIS269
|
4.5
|
47.8
|
1.0
|
CB
|
D:GLU266
|
4.7
|
47.5
|
1.0
|
CB
|
D:ALA216
|
4.8
|
52.2
|
1.0
|
CA
|
D:GLU266
|
4.9
|
49.0
|
1.0
|
CA
|
D:ALA126
|
5.0
|
45.9
|
1.0
|
|
Reference:
T.Shiba,
D.K.Inaoka,
G.Takahashi,
C.Tsuge,
Y.Kido,
L.Young,
S.Ueda,
E.O.Balogun,
T.Nara,
T.Honma,
A.Tanaka,
M.Inoue,
H.Saimoto,
S.Harada,
A.L.Moore,
K.Kita.
Insights Into the Ubiquinol/Dioxygen Binding and Proton Relay Pathways of the Alternative Oxidase. Biochim Biophys Acta V.1860 375 2019BIOENERG.
ISSN: ISSN 1879-2650
PubMed: 30910528
DOI: 10.1016/J.BBABIO.2019.03.008
Page generated: Tue Aug 6 13:03:46 2024
|