Iron in PDB 3a17: Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
Enzymatic activity of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
All present enzymatic activity of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal):
4.99.1.5;
Protein crystallography data
The structure of Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal), PDB code: 3a17
was solved by
H.Sawai,
H.Sugimoto,
Y.Kato,
Y.Asano,
Y.Shiro,
S.Aono,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.90 /
2.50
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.052,
103.931,
114.189,
76.50,
89.46,
87.55
|
R / Rfree (%)
|
21.1 /
24.3
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
(pdb code 3a17). 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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal), PDB code: 3a17:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 3a17
Go back to
Iron Binding Sites List in 3a17
Iron binding site 1 out
of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe354
b:17.4
occ:1.00
|
FE
|
A:HEM354
|
0.0
|
17.4
|
1.0
|
NC
|
A:HEM354
|
2.0
|
15.7
|
1.0
|
NB
|
A:HEM354
|
2.0
|
15.8
|
1.0
|
N1
|
A:BXO355
|
2.0
|
18.9
|
1.0
|
NA
|
A:HEM354
|
2.0
|
16.3
|
1.0
|
ND
|
A:HEM354
|
2.0
|
14.9
|
1.0
|
NE2
|
A:HIS299
|
2.2
|
18.5
|
1.0
|
O1
|
A:BXO355
|
2.9
|
18.4
|
1.0
|
C1
|
A:BXO355
|
2.9
|
20.3
|
1.0
|
C4B
|
A:HEM354
|
3.0
|
16.0
|
1.0
|
C1C
|
A:HEM354
|
3.0
|
15.6
|
1.0
|
C1A
|
A:HEM354
|
3.0
|
16.6
|
1.0
|
C4C
|
A:HEM354
|
3.0
|
15.1
|
1.0
|
CD2
|
A:HIS299
|
3.0
|
19.3
|
1.0
|
C4D
|
A:HEM354
|
3.0
|
15.1
|
1.0
|
C1D
|
A:HEM354
|
3.1
|
14.3
|
1.0
|
C1B
|
A:HEM354
|
3.1
|
16.8
|
1.0
|
C4A
|
A:HEM354
|
3.1
|
16.4
|
1.0
|
CE1
|
A:HIS299
|
3.2
|
20.6
|
1.0
|
CHC
|
A:HEM354
|
3.4
|
15.9
|
1.0
|
CHA
|
A:HEM354
|
3.4
|
15.7
|
1.0
|
CHD
|
A:HEM354
|
3.4
|
14.7
|
1.0
|
CHB
|
A:HEM354
|
3.5
|
16.4
|
1.0
|
CG
|
A:HIS299
|
4.2
|
19.7
|
1.0
|
C3C
|
A:HEM354
|
4.2
|
15.3
|
1.0
|
C3B
|
A:HEM354
|
4.2
|
16.8
|
1.0
|
C2C
|
A:HEM354
|
4.2
|
15.2
|
1.0
|
C2A
|
A:HEM354
|
4.3
|
16.9
|
1.0
|
C2B
|
A:HEM354
|
4.3
|
16.8
|
1.0
|
C3A
|
A:HEM354
|
4.3
|
16.9
|
1.0
|
C3D
|
A:HEM354
|
4.3
|
14.2
|
1.0
|
C2D
|
A:HEM354
|
4.3
|
14.0
|
1.0
|
ND1
|
A:HIS299
|
4.3
|
19.2
|
1.0
|
C2
|
A:BXO355
|
4.4
|
20.7
|
1.0
|
OG
|
A:SER219
|
4.8
|
18.2
|
1.0
|
|
Iron binding site 2 out
of 8 in 3a17
Go back to
Iron Binding Sites List in 3a17
Iron binding site 2 out
of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe354
b:16.8
occ:1.00
|
FE
|
B:HEM354
|
0.0
|
16.8
|
1.0
|
NE2
|
B:HIS299
|
2.0
|
16.3
|
1.0
|
N1
|
B:BXO355
|
2.0
|
25.3
|
1.0
|
NA
|
B:HEM354
|
2.0
|
13.6
|
1.0
|
NB
|
B:HEM354
|
2.0
|
14.1
|
1.0
|
ND
|
B:HEM354
|
2.1
|
13.1
|
1.0
|
NC
|
B:HEM354
|
2.1
|
14.4
|
1.0
|
C1
|
B:BXO355
|
2.8
|
26.7
|
1.0
|
CE1
|
B:HIS299
|
2.9
|
14.7
|
1.0
|
CD2
|
B:HIS299
|
3.0
|
14.9
|
1.0
|
O1
|
B:BXO355
|
3.0
|
27.5
|
1.0
|
C1A
|
B:HEM354
|
3.0
|
13.6
|
1.0
|
C1D
|
B:HEM354
|
3.0
|
13.3
|
1.0
|
C4A
|
B:HEM354
|
3.0
|
12.9
|
1.0
|
C4D
|
B:HEM354
|
3.1
|
13.8
|
1.0
|
C4C
|
B:HEM354
|
3.1
|
14.3
|
1.0
|
C4B
|
B:HEM354
|
3.1
|
14.9
|
1.0
|
C1B
|
B:HEM354
|
3.1
|
14.4
|
1.0
|
C1C
|
B:HEM354
|
3.1
|
13.3
|
1.0
|
CHA
|
B:HEM354
|
3.4
|
13.7
|
1.0
|
CHD
|
B:HEM354
|
3.4
|
13.9
|
1.0
|
CHC
|
B:HEM354
|
3.4
|
14.1
|
1.0
|
CHB
|
B:HEM354
|
3.4
|
13.5
|
1.0
|
ND1
|
B:HIS299
|
4.1
|
12.4
|
1.0
|
CG
|
B:HIS299
|
4.1
|
14.4
|
1.0
|
C2A
|
B:HEM354
|
4.2
|
13.2
|
1.0
|
C3A
|
B:HEM354
|
4.2
|
13.1
|
1.0
|
C2D
|
B:HEM354
|
4.3
|
13.2
|
1.0
|
C3B
|
B:HEM354
|
4.3
|
14.5
|
1.0
|
C2
|
B:BXO355
|
4.3
|
25.9
|
1.0
|
C3C
|
B:HEM354
|
4.3
|
13.9
|
1.0
|
C2B
|
B:HEM354
|
4.3
|
14.6
|
1.0
|
C2C
|
B:HEM354
|
4.3
|
14.3
|
1.0
|
C3D
|
B:HEM354
|
4.3
|
13.5
|
1.0
|
OG
|
B:SER219
|
4.7
|
18.5
|
1.0
|
|
Iron binding site 3 out
of 8 in 3a17
Go back to
Iron Binding Sites List in 3a17
Iron binding site 3 out
of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe354
b:17.4
occ:1.00
|
FE
|
C:HEM354
|
0.0
|
17.4
|
1.0
|
NE2
|
C:HIS299
|
1.9
|
18.8
|
1.0
|
N1
|
C:BXO355
|
2.0
|
18.9
|
1.0
|
NC
|
C:HEM354
|
2.0
|
15.7
|
1.0
|
NB
|
C:HEM354
|
2.0
|
15.8
|
1.0
|
ND
|
C:HEM354
|
2.0
|
14.9
|
1.0
|
NA
|
C:HEM354
|
2.0
|
16.3
|
1.0
|
O1
|
C:BXO355
|
2.9
|
18.4
|
1.0
|
CE1
|
C:HIS299
|
2.9
|
20.1
|
1.0
|
C1
|
C:BXO355
|
2.9
|
20.2
|
1.0
|
CD2
|
C:HIS299
|
3.0
|
19.0
|
1.0
|
C4C
|
C:HEM354
|
3.0
|
15.1
|
1.0
|
C1C
|
C:HEM354
|
3.0
|
15.6
|
1.0
|
C4B
|
C:HEM354
|
3.0
|
16.0
|
1.0
|
C1D
|
C:HEM354
|
3.0
|
14.3
|
1.0
|
C1A
|
C:HEM354
|
3.0
|
16.5
|
1.0
|
C4D
|
C:HEM354
|
3.1
|
15.0
|
1.0
|
C1B
|
C:HEM354
|
3.1
|
16.8
|
1.0
|
C4A
|
C:HEM354
|
3.1
|
16.4
|
1.0
|
CHD
|
C:HEM354
|
3.4
|
14.7
|
1.0
|
CHC
|
C:HEM354
|
3.4
|
15.9
|
1.0
|
CHA
|
C:HEM354
|
3.4
|
15.7
|
1.0
|
CHB
|
C:HEM354
|
3.5
|
16.4
|
1.0
|
ND1
|
C:HIS299
|
4.0
|
19.8
|
1.0
|
CG
|
C:HIS299
|
4.1
|
19.8
|
1.0
|
C3C
|
C:HEM354
|
4.2
|
15.3
|
1.0
|
C2C
|
C:HEM354
|
4.2
|
15.2
|
1.0
|
C3B
|
C:HEM354
|
4.3
|
16.7
|
1.0
|
C2A
|
C:HEM354
|
4.3
|
16.9
|
1.0
|
C2D
|
C:HEM354
|
4.3
|
14.0
|
1.0
|
C2B
|
C:HEM354
|
4.3
|
16.8
|
1.0
|
C3D
|
C:HEM354
|
4.3
|
14.2
|
1.0
|
C3A
|
C:HEM354
|
4.3
|
16.9
|
1.0
|
C2
|
C:BXO355
|
4.4
|
20.7
|
1.0
|
OG
|
C:SER219
|
4.8
|
17.9
|
1.0
|
|
Iron binding site 4 out
of 8 in 3a17
Go back to
Iron Binding Sites List in 3a17
Iron binding site 4 out
of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe354
b:17.0
occ:1.00
|
FE
|
D:HEM354
|
0.0
|
17.0
|
1.0
|
N1
|
D:BXO355
|
2.0
|
25.3
|
1.0
|
NE2
|
D:HIS299
|
2.0
|
16.7
|
1.0
|
NC
|
D:HEM354
|
2.0
|
14.3
|
1.0
|
ND
|
D:HEM354
|
2.0
|
13.0
|
1.0
|
NB
|
D:HEM354
|
2.1
|
14.1
|
1.0
|
NA
|
D:HEM354
|
2.1
|
13.6
|
1.0
|
C1
|
D:BXO355
|
2.8
|
26.7
|
1.0
|
CD2
|
D:HIS299
|
2.9
|
15.2
|
1.0
|
O1
|
D:BXO355
|
2.9
|
27.5
|
1.0
|
CE1
|
D:HIS299
|
3.0
|
14.9
|
1.0
|
C4C
|
D:HEM354
|
3.0
|
14.3
|
1.0
|
C1D
|
D:HEM354
|
3.0
|
13.3
|
1.0
|
C1A
|
D:HEM354
|
3.0
|
13.6
|
1.0
|
C1C
|
D:HEM354
|
3.1
|
13.4
|
1.0
|
C4B
|
D:HEM354
|
3.1
|
14.9
|
1.0
|
C4D
|
D:HEM354
|
3.1
|
13.8
|
1.0
|
C4A
|
D:HEM354
|
3.1
|
12.9
|
1.0
|
C1B
|
D:HEM354
|
3.1
|
14.4
|
1.0
|
CHD
|
D:HEM354
|
3.3
|
14.0
|
1.0
|
CHA
|
D:HEM354
|
3.4
|
13.7
|
1.0
|
CHC
|
D:HEM354
|
3.4
|
14.1
|
1.0
|
CHB
|
D:HEM354
|
3.5
|
13.5
|
1.0
|
ND1
|
D:HIS299
|
4.1
|
12.2
|
1.0
|
CG
|
D:HIS299
|
4.1
|
14.3
|
1.0
|
C3C
|
D:HEM354
|
4.2
|
13.8
|
1.0
|
C2C
|
D:HEM354
|
4.3
|
14.2
|
1.0
|
C2D
|
D:HEM354
|
4.3
|
13.2
|
1.0
|
C2A
|
D:HEM354
|
4.3
|
13.2
|
1.0
|
C3B
|
D:HEM354
|
4.3
|
14.5
|
1.0
|
C3A
|
D:HEM354
|
4.3
|
13.2
|
1.0
|
C2
|
D:BXO355
|
4.3
|
25.9
|
1.0
|
C3D
|
D:HEM354
|
4.3
|
13.4
|
1.0
|
C2B
|
D:HEM354
|
4.3
|
14.7
|
1.0
|
OG
|
D:SER219
|
4.7
|
18.2
|
1.0
|
|
Iron binding site 5 out
of 8 in 3a17
Go back to
Iron Binding Sites List in 3a17
Iron binding site 5 out
of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe354
b:17.4
occ:1.00
|
FE
|
E:HEM354
|
0.0
|
17.4
|
1.0
|
NE2
|
E:HIS299
|
1.9
|
18.7
|
1.0
|
N1
|
E:BXO355
|
2.0
|
18.9
|
1.0
|
NC
|
E:HEM354
|
2.0
|
15.7
|
1.0
|
ND
|
E:HEM354
|
2.0
|
14.9
|
1.0
|
NA
|
E:HEM354
|
2.0
|
16.3
|
1.0
|
NB
|
E:HEM354
|
2.0
|
15.9
|
1.0
|
O1
|
E:BXO355
|
2.9
|
18.4
|
1.0
|
C1
|
E:BXO355
|
2.9
|
20.2
|
1.0
|
CE1
|
E:HIS299
|
2.9
|
20.5
|
1.0
|
CD2
|
E:HIS299
|
2.9
|
19.2
|
1.0
|
C1A
|
E:HEM354
|
3.0
|
16.5
|
1.0
|
C1D
|
E:HEM354
|
3.0
|
14.3
|
1.0
|
C4C
|
E:HEM354
|
3.0
|
15.1
|
1.0
|
C4D
|
E:HEM354
|
3.0
|
15.0
|
1.0
|
C1C
|
E:HEM354
|
3.0
|
15.6
|
1.0
|
C4B
|
E:HEM354
|
3.0
|
15.9
|
1.0
|
C4A
|
E:HEM354
|
3.1
|
16.4
|
1.0
|
C1B
|
E:HEM354
|
3.1
|
16.8
|
1.0
|
CHA
|
E:HEM354
|
3.4
|
15.7
|
1.0
|
CHD
|
E:HEM354
|
3.4
|
14.8
|
1.0
|
CHC
|
E:HEM354
|
3.4
|
15.9
|
1.0
|
CHB
|
E:HEM354
|
3.5
|
16.4
|
1.0
|
ND1
|
E:HIS299
|
4.0
|
19.6
|
1.0
|
CG
|
E:HIS299
|
4.1
|
19.8
|
1.0
|
C3C
|
E:HEM354
|
4.2
|
15.3
|
1.0
|
C2A
|
E:HEM354
|
4.2
|
16.9
|
1.0
|
C2C
|
E:HEM354
|
4.3
|
15.2
|
1.0
|
C3D
|
E:HEM354
|
4.3
|
14.2
|
1.0
|
C2D
|
E:HEM354
|
4.3
|
14.0
|
1.0
|
C3B
|
E:HEM354
|
4.3
|
16.7
|
1.0
|
C3A
|
E:HEM354
|
4.3
|
16.9
|
1.0
|
C2B
|
E:HEM354
|
4.3
|
16.7
|
1.0
|
C2
|
E:BXO355
|
4.4
|
20.7
|
1.0
|
OG
|
E:SER219
|
4.8
|
18.2
|
1.0
|
|
Iron binding site 6 out
of 8 in 3a17
Go back to
Iron Binding Sites List in 3a17
Iron binding site 6 out
of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe354
b:17.0
occ:1.00
|
FE
|
F:HEM354
|
0.0
|
17.0
|
1.0
|
N1
|
F:BXO355
|
2.0
|
25.3
|
1.0
|
NE2
|
F:HIS299
|
2.0
|
16.5
|
1.0
|
NA
|
F:HEM354
|
2.0
|
13.6
|
1.0
|
NC
|
F:HEM354
|
2.0
|
14.4
|
1.0
|
ND
|
F:HEM354
|
2.0
|
13.1
|
1.0
|
NB
|
F:HEM354
|
2.1
|
14.2
|
1.0
|
C1
|
F:BXO355
|
2.8
|
26.7
|
1.0
|
CE1
|
F:HIS299
|
2.9
|
15.1
|
1.0
|
O1
|
F:BXO355
|
3.0
|
27.6
|
1.0
|
CD2
|
F:HIS299
|
3.0
|
15.1
|
1.0
|
C1A
|
F:HEM354
|
3.0
|
13.6
|
1.0
|
C1D
|
F:HEM354
|
3.0
|
13.2
|
1.0
|
C4C
|
F:HEM354
|
3.0
|
14.2
|
1.0
|
C4D
|
F:HEM354
|
3.1
|
13.8
|
1.0
|
C4A
|
F:HEM354
|
3.1
|
12.9
|
1.0
|
C4B
|
F:HEM354
|
3.1
|
14.9
|
1.0
|
C1C
|
F:HEM354
|
3.1
|
13.4
|
1.0
|
C1B
|
F:HEM354
|
3.1
|
14.3
|
1.0
|
CHD
|
F:HEM354
|
3.4
|
13.9
|
1.0
|
CHA
|
F:HEM354
|
3.4
|
13.7
|
1.0
|
CHC
|
F:HEM354
|
3.4
|
14.1
|
1.0
|
CHB
|
F:HEM354
|
3.5
|
13.6
|
1.0
|
ND1
|
F:HIS299
|
4.1
|
12.5
|
1.0
|
CG
|
F:HIS299
|
4.1
|
14.3
|
1.0
|
C2A
|
F:HEM354
|
4.2
|
13.2
|
1.0
|
C3A
|
F:HEM354
|
4.3
|
13.2
|
1.0
|
C2D
|
F:HEM354
|
4.3
|
13.2
|
1.0
|
C3C
|
F:HEM354
|
4.3
|
13.9
|
1.0
|
C2
|
F:BXO355
|
4.3
|
25.9
|
1.0
|
C2C
|
F:HEM354
|
4.3
|
14.3
|
1.0
|
C3B
|
F:HEM354
|
4.3
|
14.5
|
1.0
|
C3D
|
F:HEM354
|
4.3
|
13.5
|
1.0
|
C2B
|
F:HEM354
|
4.3
|
14.7
|
1.0
|
OG
|
F:SER219
|
4.6
|
18.9
|
1.0
|
|
Iron binding site 7 out
of 8 in 3a17
Go back to
Iron Binding Sites List in 3a17
Iron binding site 7 out
of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe354
b:17.5
occ:1.00
|
FE
|
G:HEM354
|
0.0
|
17.5
|
1.0
|
NE2
|
G:HIS299
|
2.0
|
18.5
|
1.0
|
N1
|
G:BXO355
|
2.0
|
18.9
|
1.0
|
NC
|
G:HEM354
|
2.0
|
15.6
|
1.0
|
ND
|
G:HEM354
|
2.0
|
14.9
|
1.0
|
NA
|
G:HEM354
|
2.0
|
16.3
|
1.0
|
NB
|
G:HEM354
|
2.0
|
15.9
|
1.0
|
O1
|
G:BXO355
|
2.9
|
18.4
|
1.0
|
C1
|
G:BXO355
|
2.9
|
20.3
|
1.0
|
CE1
|
G:HIS299
|
2.9
|
20.2
|
1.0
|
CD2
|
G:HIS299
|
3.0
|
19.2
|
1.0
|
C1A
|
G:HEM354
|
3.0
|
16.5
|
1.0
|
C4D
|
G:HEM354
|
3.0
|
15.0
|
1.0
|
C4C
|
G:HEM354
|
3.0
|
15.1
|
1.0
|
C1D
|
G:HEM354
|
3.0
|
14.4
|
1.0
|
C1C
|
G:HEM354
|
3.0
|
15.6
|
1.0
|
C4B
|
G:HEM354
|
3.0
|
15.9
|
1.0
|
C4A
|
G:HEM354
|
3.1
|
16.4
|
1.0
|
C1B
|
G:HEM354
|
3.1
|
16.8
|
1.0
|
CHA
|
G:HEM354
|
3.4
|
15.7
|
1.0
|
CHD
|
G:HEM354
|
3.4
|
14.7
|
1.0
|
CHC
|
G:HEM354
|
3.4
|
15.9
|
1.0
|
CHB
|
G:HEM354
|
3.5
|
16.4
|
1.0
|
ND1
|
G:HIS299
|
4.1
|
19.2
|
1.0
|
CG
|
G:HIS299
|
4.1
|
19.9
|
1.0
|
C3C
|
G:HEM354
|
4.2
|
15.2
|
1.0
|
C2A
|
G:HEM354
|
4.2
|
16.9
|
1.0
|
C2C
|
G:HEM354
|
4.3
|
15.3
|
1.0
|
C3D
|
G:HEM354
|
4.3
|
14.2
|
1.0
|
C2D
|
G:HEM354
|
4.3
|
14.0
|
1.0
|
C3B
|
G:HEM354
|
4.3
|
16.7
|
1.0
|
C3A
|
G:HEM354
|
4.3
|
16.9
|
1.0
|
C2B
|
G:HEM354
|
4.3
|
16.8
|
1.0
|
C2
|
G:BXO355
|
4.3
|
20.8
|
1.0
|
OG
|
G:SER219
|
4.8
|
17.7
|
1.0
|
|
Iron binding site 8 out
of 8 in 3a17
Go back to
Iron Binding Sites List in 3a17
Iron binding site 8 out
of 8 in the Crystal Structure of Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal)
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 Aldoxime Dehydratase (Oxdre) in Complex with Butyraldoxime (Co-Crystal) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe354
b:17.0
occ:1.00
|
FE
|
H:HEM354
|
0.0
|
17.0
|
1.0
|
N1
|
H:BXO355
|
2.0
|
25.3
|
1.0
|
NE2
|
H:HIS299
|
2.0
|
16.4
|
1.0
|
NA
|
H:HEM354
|
2.0
|
13.6
|
1.0
|
ND
|
H:HEM354
|
2.0
|
13.1
|
1.0
|
NC
|
H:HEM354
|
2.1
|
14.4
|
1.0
|
NB
|
H:HEM354
|
2.1
|
14.1
|
1.0
|
C1
|
H:BXO355
|
2.8
|
26.7
|
1.0
|
CE1
|
H:HIS299
|
2.9
|
14.6
|
1.0
|
O1
|
H:BXO355
|
3.0
|
27.5
|
1.0
|
CD2
|
H:HIS299
|
3.0
|
15.1
|
1.0
|
C1A
|
H:HEM354
|
3.0
|
13.6
|
1.0
|
C1D
|
H:HEM354
|
3.0
|
13.3
|
1.0
|
C4D
|
H:HEM354
|
3.0
|
13.8
|
1.0
|
C4C
|
H:HEM354
|
3.1
|
14.3
|
1.0
|
C4A
|
H:HEM354
|
3.1
|
12.9
|
1.0
|
C4B
|
H:HEM354
|
3.1
|
14.9
|
1.0
|
C1C
|
H:HEM354
|
3.1
|
13.4
|
1.0
|
C1B
|
H:HEM354
|
3.1
|
14.4
|
1.0
|
CHA
|
H:HEM354
|
3.3
|
13.7
|
1.0
|
CHD
|
H:HEM354
|
3.4
|
13.9
|
1.0
|
CHC
|
H:HEM354
|
3.5
|
14.1
|
1.0
|
CHB
|
H:HEM354
|
3.5
|
13.5
|
1.0
|
ND1
|
H:HIS299
|
4.1
|
12.3
|
1.0
|
CG
|
H:HIS299
|
4.1
|
14.2
|
1.0
|
C2A
|
H:HEM354
|
4.2
|
13.2
|
1.0
|
C3A
|
H:HEM354
|
4.2
|
13.1
|
1.0
|
C2D
|
H:HEM354
|
4.3
|
13.1
|
1.0
|
C3D
|
H:HEM354
|
4.3
|
13.4
|
1.0
|
C2
|
H:BXO355
|
4.3
|
25.9
|
1.0
|
C3C
|
H:HEM354
|
4.3
|
13.9
|
1.0
|
C2C
|
H:HEM354
|
4.3
|
14.2
|
1.0
|
C3B
|
H:HEM354
|
4.3
|
14.5
|
1.0
|
C2B
|
H:HEM354
|
4.3
|
14.7
|
1.0
|
OG
|
H:SER219
|
4.7
|
18.4
|
1.0
|
|
Reference:
H.Sawai,
H.Sugimoto,
Y.Kato,
Y.Asano,
Y.Shiro,
S.Aono.
X-Ray Crystal Structure of Michaelis Complex of Aldoxime Dehydratase J.Biol.Chem. V. 284 32089 2009.
ISSN: ISSN 0021-9258
PubMed: 19740758
DOI: 10.1074/JBC.M109.018762
Page generated: Sun Aug 4 06:38:45 2024
|