Iron in PDB 3e08: H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
Enzymatic activity of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
All present enzymatic activity of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase:
1.13.11.11;
Protein crystallography data
The structure of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase, PDB code: 3e08
was solved by
C.G.Mowat,
L.P.Campbell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
17.56 /
1.90
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.912,
117.718,
138.978,
90.00,
95.64,
90.00
|
|
R / Rfree (%)
|
17.8 /
21.6
|
Iron Binding Sites:
The binding sites of Iron atom in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
(pdb code 3e08). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase, PDB code: 3e08:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 3e08
Go back to
Iron Binding Sites List in 3e08
Iron binding site 1 out
of 8 in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:11.7
occ:1.00
|
FE
|
A:HEM401
|
0.0
|
11.7
|
1.0
|
|
NB
|
A:HEM401
|
2.0
|
9.3
|
1.0
|
|
NC
|
A:HEM401
|
2.0
|
10.2
|
1.0
|
|
NA
|
A:HEM401
|
2.0
|
9.5
|
1.0
|
|
ND
|
A:HEM401
|
2.1
|
9.8
|
1.0
|
|
CE1
|
A:HIS240
|
2.2
|
9.6
|
1.0
|
|
O
|
A:HOH405
|
2.6
|
13.3
|
1.0
|
|
NE2
|
A:HIS240
|
3.0
|
11.6
|
1.0
|
|
C4B
|
A:HEM401
|
3.0
|
10.8
|
1.0
|
|
C1C
|
A:HEM401
|
3.0
|
10.4
|
1.0
|
|
C1A
|
A:HEM401
|
3.0
|
8.2
|
1.0
|
|
C1B
|
A:HEM401
|
3.0
|
11.1
|
1.0
|
|
C4C
|
A:HEM401
|
3.1
|
9.7
|
1.0
|
|
C4A
|
A:HEM401
|
3.1
|
9.6
|
1.0
|
|
C4D
|
A:HEM401
|
3.1
|
12.7
|
1.0
|
|
C1D
|
A:HEM401
|
3.1
|
9.8
|
1.0
|
|
ND1
|
A:HIS240
|
3.3
|
13.0
|
1.0
|
|
CHC
|
A:HEM401
|
3.4
|
10.6
|
1.0
|
|
CHA
|
A:HEM401
|
3.4
|
9.1
|
1.0
|
|
CHB
|
A:HEM401
|
3.4
|
9.2
|
1.0
|
|
CHD
|
A:HEM401
|
3.5
|
11.6
|
1.0
|
|
CD2
|
A:HIS240
|
4.2
|
9.6
|
1.0
|
|
C3B
|
A:HEM401
|
4.2
|
11.3
|
1.0
|
|
CD1
|
A:TRP402
|
4.2
|
12.1
|
1.0
|
|
C2B
|
A:HEM401
|
4.2
|
9.4
|
1.0
|
|
C3C
|
A:HEM401
|
4.3
|
12.4
|
1.0
|
|
C2C
|
A:HEM401
|
4.3
|
10.4
|
1.0
|
|
C2A
|
A:HEM401
|
4.3
|
9.7
|
1.0
|
|
C3A
|
A:HEM401
|
4.3
|
10.4
|
1.0
|
|
C3D
|
A:HEM401
|
4.3
|
10.3
|
1.0
|
|
C2D
|
A:HEM401
|
4.4
|
8.3
|
1.0
|
|
CG
|
A:HIS240
|
4.4
|
11.2
|
1.0
|
|
NE1
|
A:TRP402
|
4.5
|
21.2
|
1.0
|
|
N
|
A:TRP402
|
4.7
|
10.3
|
1.0
|
|
CG2
|
A:VAL244
|
4.8
|
12.6
|
1.0
|
|
N
|
A:GLY125
|
4.9
|
12.9
|
1.0
|
|
CA
|
A:GLY125
|
5.0
|
12.2
|
1.0
|
|
Iron binding site 2 out
of 8 in 3e08
Go back to
Iron Binding Sites List in 3e08
Iron binding site 2 out
of 8 in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe401
b:13.1
occ:1.00
|
FE
|
B:HEM401
|
0.0
|
13.1
|
1.0
|
|
NC
|
B:HEM401
|
2.0
|
12.3
|
1.0
|
|
NB
|
B:HEM401
|
2.0
|
11.5
|
1.0
|
|
NA
|
B:HEM401
|
2.1
|
11.9
|
1.0
|
|
ND
|
B:HEM401
|
2.1
|
11.0
|
1.0
|
|
CE1
|
B:HIS240
|
2.2
|
11.3
|
1.0
|
|
O
|
B:HOH550
|
2.9
|
14.7
|
1.0
|
|
NE2
|
B:HIS240
|
2.9
|
15.2
|
1.0
|
|
C4B
|
B:HEM401
|
3.0
|
13.8
|
1.0
|
|
C1C
|
B:HEM401
|
3.0
|
14.3
|
1.0
|
|
C4C
|
B:HEM401
|
3.1
|
12.3
|
1.0
|
|
C1A
|
B:HEM401
|
3.1
|
13.0
|
1.0
|
|
C4D
|
B:HEM401
|
3.1
|
12.9
|
1.0
|
|
C1B
|
B:HEM401
|
3.1
|
14.0
|
1.0
|
|
C4A
|
B:HEM401
|
3.1
|
10.0
|
1.0
|
|
C1D
|
B:HEM401
|
3.1
|
13.7
|
1.0
|
|
ND1
|
B:HIS240
|
3.4
|
17.3
|
1.0
|
|
CHC
|
B:HEM401
|
3.4
|
13.8
|
1.0
|
|
CHA
|
B:HEM401
|
3.4
|
9.4
|
1.0
|
|
CHD
|
B:HEM401
|
3.4
|
12.3
|
1.0
|
|
CHB
|
B:HEM401
|
3.5
|
10.0
|
1.0
|
|
CD2
|
B:HIS240
|
4.2
|
12.7
|
1.0
|
|
C2C
|
B:HEM401
|
4.3
|
15.6
|
1.0
|
|
C3C
|
B:HEM401
|
4.3
|
14.8
|
1.0
|
|
C3B
|
B:HEM401
|
4.3
|
15.1
|
1.0
|
|
C2B
|
B:HEM401
|
4.3
|
14.9
|
1.0
|
|
C2A
|
B:HEM401
|
4.3
|
14.0
|
1.0
|
|
C3A
|
B:HEM401
|
4.3
|
13.2
|
1.0
|
|
C3D
|
B:HEM401
|
4.3
|
11.4
|
1.0
|
|
C2D
|
B:HEM401
|
4.3
|
13.0
|
1.0
|
|
CD1
|
B:TRP402
|
4.4
|
15.6
|
1.0
|
|
CG
|
B:HIS240
|
4.4
|
14.2
|
1.0
|
|
NE1
|
B:TRP402
|
4.6
|
19.8
|
1.0
|
|
N
|
B:TRP402
|
4.7
|
13.4
|
1.0
|
|
CG2
|
B:VAL244
|
4.9
|
11.0
|
1.0
|
|
Iron binding site 3 out
of 8 in 3e08
Go back to
Iron Binding Sites List in 3e08
Iron binding site 3 out
of 8 in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe401
b:18.0
occ:1.00
|
FE
|
C:HEM401
|
0.0
|
18.0
|
1.0
|
|
ND
|
C:HEM401
|
2.0
|
16.9
|
1.0
|
|
NB
|
C:HEM401
|
2.0
|
16.4
|
1.0
|
|
NA
|
C:HEM401
|
2.1
|
18.9
|
1.0
|
|
NC
|
C:HEM401
|
2.1
|
17.3
|
1.0
|
|
CE1
|
C:HIS240
|
2.3
|
17.9
|
1.0
|
|
O
|
C:HOH643
|
2.6
|
20.9
|
1.0
|
|
C4D
|
C:HEM401
|
3.0
|
20.7
|
1.0
|
|
C1D
|
C:HEM401
|
3.0
|
17.5
|
1.0
|
|
C4B
|
C:HEM401
|
3.1
|
17.8
|
1.0
|
|
C1A
|
C:HEM401
|
3.1
|
18.0
|
1.0
|
|
C4A
|
C:HEM401
|
3.1
|
15.3
|
1.0
|
|
C1B
|
C:HEM401
|
3.1
|
16.4
|
1.0
|
|
C1C
|
C:HEM401
|
3.1
|
16.5
|
1.0
|
|
NE2
|
C:HIS240
|
3.1
|
19.4
|
1.0
|
|
C4C
|
C:HEM401
|
3.1
|
15.4
|
1.0
|
|
ND1
|
C:HIS240
|
3.3
|
20.1
|
1.0
|
|
CHA
|
C:HEM401
|
3.4
|
15.6
|
1.0
|
|
CHB
|
C:HEM401
|
3.4
|
15.9
|
1.0
|
|
CHD
|
C:HEM401
|
3.4
|
15.7
|
1.0
|
|
CHC
|
C:HEM401
|
3.4
|
16.3
|
1.0
|
|
C2D
|
C:HEM401
|
4.3
|
18.3
|
1.0
|
|
C3D
|
C:HEM401
|
4.3
|
17.6
|
1.0
|
|
C3B
|
C:HEM401
|
4.3
|
17.4
|
1.0
|
|
C3A
|
C:HEM401
|
4.3
|
18.8
|
1.0
|
|
C2B
|
C:HEM401
|
4.3
|
14.8
|
1.0
|
|
C2A
|
C:HEM401
|
4.3
|
16.6
|
1.0
|
|
CD1
|
C:TRP402
|
4.3
|
22.1
|
1.0
|
|
C2C
|
C:HEM401
|
4.3
|
16.0
|
1.0
|
|
CD2
|
C:HIS240
|
4.3
|
16.4
|
1.0
|
|
C3C
|
C:HEM401
|
4.3
|
16.5
|
1.0
|
|
CG
|
C:HIS240
|
4.4
|
15.1
|
1.0
|
|
NE1
|
C:TRP402
|
4.6
|
22.2
|
1.0
|
|
CG2
|
C:VAL244
|
4.7
|
15.1
|
1.0
|
|
N
|
C:TRP402
|
4.8
|
16.8
|
1.0
|
|
N
|
C:GLY125
|
4.9
|
21.5
|
1.0
|
|
CA
|
C:GLY125
|
4.9
|
17.8
|
1.0
|
|
Iron binding site 4 out
of 8 in 3e08
Go back to
Iron Binding Sites List in 3e08
Iron binding site 4 out
of 8 in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe401
b:16.4
occ:1.00
|
FE
|
D:HEM401
|
0.0
|
16.4
|
1.0
|
|
NB
|
D:HEM401
|
2.0
|
11.3
|
1.0
|
|
NC
|
D:HEM401
|
2.0
|
15.1
|
1.0
|
|
ND
|
D:HEM401
|
2.1
|
11.6
|
1.0
|
|
NA
|
D:HEM401
|
2.1
|
13.8
|
1.0
|
|
CE1
|
D:HIS240
|
2.3
|
12.5
|
1.0
|
|
O
|
D:HOH629
|
2.6
|
19.8
|
1.0
|
|
C4B
|
D:HEM401
|
3.0
|
15.3
|
1.0
|
|
C1B
|
D:HEM401
|
3.0
|
13.7
|
1.0
|
|
NE2
|
D:HIS240
|
3.0
|
16.4
|
1.0
|
|
C1D
|
D:HEM401
|
3.1
|
16.2
|
1.0
|
|
C1C
|
D:HEM401
|
3.1
|
15.2
|
1.0
|
|
C4A
|
D:HEM401
|
3.1
|
13.7
|
1.0
|
|
C4C
|
D:HEM401
|
3.1
|
13.5
|
1.0
|
|
C4D
|
D:HEM401
|
3.1
|
16.4
|
1.0
|
|
C1A
|
D:HEM401
|
3.1
|
13.5
|
1.0
|
|
ND1
|
D:HIS240
|
3.3
|
16.1
|
1.0
|
|
CHC
|
D:HEM401
|
3.4
|
17.8
|
1.0
|
|
CHD
|
D:HEM401
|
3.4
|
12.5
|
1.0
|
|
CHB
|
D:HEM401
|
3.4
|
14.7
|
1.0
|
|
CHA
|
D:HEM401
|
3.5
|
12.4
|
1.0
|
|
C3B
|
D:HEM401
|
4.3
|
17.8
|
1.0
|
|
C2B
|
D:HEM401
|
4.3
|
17.2
|
1.0
|
|
CD2
|
D:HIS240
|
4.3
|
13.3
|
1.0
|
|
C2C
|
D:HEM401
|
4.3
|
15.3
|
1.0
|
|
C2D
|
D:HEM401
|
4.3
|
14.8
|
1.0
|
|
C3A
|
D:HEM401
|
4.3
|
13.8
|
1.0
|
|
C2A
|
D:HEM401
|
4.3
|
16.8
|
1.0
|
|
C3C
|
D:HEM401
|
4.3
|
15.9
|
1.0
|
|
C3D
|
D:HEM401
|
4.3
|
16.4
|
1.0
|
|
CD1
|
D:TRP402
|
4.3
|
20.4
|
1.0
|
|
CG
|
D:HIS240
|
4.4
|
11.3
|
1.0
|
|
NE1
|
D:TRP402
|
4.6
|
25.6
|
1.0
|
|
CG2
|
D:VAL244
|
4.7
|
13.8
|
1.0
|
|
N
|
D:TRP402
|
4.8
|
17.3
|
1.0
|
|
N
|
D:GLY125
|
4.9
|
21.8
|
1.0
|
|
CA
|
D:GLY125
|
4.9
|
18.1
|
1.0
|
|
Iron binding site 5 out
of 8 in 3e08
Go back to
Iron Binding Sites List in 3e08
Iron binding site 5 out
of 8 in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe401
b:28.6
occ:1.00
|
FE
|
E:HEM401
|
0.0
|
28.6
|
1.0
|
|
NB
|
E:HEM401
|
2.1
|
29.3
|
1.0
|
|
NA
|
E:HEM401
|
2.1
|
27.0
|
1.0
|
|
NC
|
E:HEM401
|
2.1
|
25.8
|
1.0
|
|
ND
|
E:HEM401
|
2.1
|
30.5
|
1.0
|
|
CE1
|
E:HIS240
|
2.3
|
24.7
|
1.0
|
|
O
|
E:HOH408
|
2.8
|
31.1
|
1.0
|
|
C4B
|
E:HEM401
|
3.0
|
29.2
|
1.0
|
|
C1C
|
E:HEM401
|
3.0
|
28.1
|
1.0
|
|
C1A
|
E:HEM401
|
3.1
|
29.8
|
1.0
|
|
C4D
|
E:HEM401
|
3.1
|
28.9
|
1.0
|
|
NE2
|
E:HIS240
|
3.1
|
26.9
|
1.0
|
|
C1B
|
E:HEM401
|
3.1
|
29.4
|
1.0
|
|
C4A
|
E:HEM401
|
3.1
|
31.9
|
1.0
|
|
C1D
|
E:HEM401
|
3.1
|
29.3
|
1.0
|
|
C4C
|
E:HEM401
|
3.1
|
28.8
|
1.0
|
|
ND1
|
E:HIS240
|
3.3
|
28.2
|
1.0
|
|
CHC
|
E:HEM401
|
3.4
|
27.1
|
1.0
|
|
CHA
|
E:HEM401
|
3.4
|
28.9
|
1.0
|
|
CHB
|
E:HEM401
|
3.5
|
30.2
|
1.0
|
|
CHD
|
E:HEM401
|
3.5
|
29.0
|
1.0
|
|
C3B
|
E:HEM401
|
4.3
|
27.5
|
1.0
|
|
C2C
|
E:HEM401
|
4.3
|
28.4
|
1.0
|
|
C2A
|
E:HEM401
|
4.3
|
30.1
|
1.0
|
|
C3D
|
E:HEM401
|
4.3
|
28.7
|
1.0
|
|
CD1
|
E:TRP402
|
4.3
|
31.7
|
1.0
|
|
C2B
|
E:HEM401
|
4.3
|
27.6
|
1.0
|
|
CD2
|
E:HIS240
|
4.3
|
22.5
|
1.0
|
|
C3A
|
E:HEM401
|
4.3
|
31.7
|
1.0
|
|
C3C
|
E:HEM401
|
4.3
|
30.6
|
1.0
|
|
C2D
|
E:HEM401
|
4.3
|
29.9
|
1.0
|
|
CG
|
E:HIS240
|
4.4
|
24.1
|
1.0
|
|
NE1
|
E:TRP402
|
4.5
|
36.9
|
1.0
|
|
N
|
E:TRP402
|
4.8
|
30.2
|
1.0
|
|
CG2
|
E:VAL244
|
4.8
|
23.8
|
1.0
|
|
CA
|
E:GLY125
|
4.9
|
31.9
|
1.0
|
|
N
|
E:GLY125
|
4.9
|
31.4
|
1.0
|
|
Iron binding site 6 out
of 8 in 3e08
Go back to
Iron Binding Sites List in 3e08
Iron binding site 6 out
of 8 in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe401
b:28.0
occ:1.00
|
FE
|
F:HEM401
|
0.0
|
28.0
|
1.0
|
|
NA
|
F:HEM401
|
2.1
|
29.1
|
1.0
|
|
NC
|
F:HEM401
|
2.1
|
29.4
|
1.0
|
|
NB
|
F:HEM401
|
2.1
|
29.8
|
1.0
|
|
ND
|
F:HEM401
|
2.1
|
28.1
|
1.0
|
|
CE1
|
F:HIS240
|
2.3
|
24.7
|
1.0
|
|
O
|
F:HOH503
|
2.5
|
34.5
|
1.0
|
|
C1A
|
F:HEM401
|
3.1
|
28.6
|
1.0
|
|
C4A
|
F:HEM401
|
3.1
|
30.1
|
1.0
|
|
C1D
|
F:HEM401
|
3.1
|
28.2
|
1.0
|
|
C4C
|
F:HEM401
|
3.1
|
31.5
|
1.0
|
|
C4D
|
F:HEM401
|
3.1
|
29.6
|
1.0
|
|
C1B
|
F:HEM401
|
3.1
|
30.8
|
1.0
|
|
C4B
|
F:HEM401
|
3.1
|
27.7
|
1.0
|
|
C1C
|
F:HEM401
|
3.1
|
29.6
|
1.0
|
|
NE2
|
F:HIS240
|
3.2
|
29.4
|
1.0
|
|
ND1
|
F:HIS240
|
3.3
|
26.6
|
1.0
|
|
CHD
|
F:HEM401
|
3.4
|
32.8
|
1.0
|
|
CHA
|
F:HEM401
|
3.4
|
26.6
|
1.0
|
|
CHB
|
F:HEM401
|
3.4
|
30.4
|
1.0
|
|
CHC
|
F:HEM401
|
3.5
|
30.5
|
1.0
|
|
CD1
|
F:TRP402
|
4.2
|
36.1
|
1.0
|
|
C2A
|
F:HEM401
|
4.3
|
30.6
|
1.0
|
|
C3A
|
F:HEM401
|
4.3
|
31.8
|
1.0
|
|
C3C
|
F:HEM401
|
4.3
|
32.1
|
1.0
|
|
C2D
|
F:HEM401
|
4.3
|
27.5
|
1.0
|
|
C3B
|
F:HEM401
|
4.3
|
28.5
|
1.0
|
|
C2B
|
F:HEM401
|
4.3
|
30.0
|
1.0
|
|
C2C
|
F:HEM401
|
4.3
|
30.2
|
1.0
|
|
C3D
|
F:HEM401
|
4.3
|
30.0
|
1.0
|
|
CD2
|
F:HIS240
|
4.4
|
21.7
|
1.0
|
|
NE1
|
F:TRP402
|
4.5
|
33.3
|
1.0
|
|
CG
|
F:HIS240
|
4.5
|
22.4
|
1.0
|
|
N
|
F:TRP402
|
4.8
|
31.9
|
1.0
|
|
CG2
|
F:VAL244
|
4.8
|
23.4
|
1.0
|
|
N
|
F:GLY125
|
4.8
|
31.7
|
1.0
|
|
CA
|
F:GLY125
|
4.8
|
30.2
|
1.0
|
|
Iron binding site 7 out
of 8 in 3e08
Go back to
Iron Binding Sites List in 3e08
Iron binding site 7 out
of 8 in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe401
b:23.0
occ:1.00
|
FE
|
G:HEM401
|
0.0
|
23.0
|
1.0
|
|
NA
|
G:HEM401
|
2.0
|
23.5
|
1.0
|
|
NC
|
G:HEM401
|
2.1
|
20.2
|
1.0
|
|
NB
|
G:HEM401
|
2.1
|
20.4
|
1.0
|
|
ND
|
G:HEM401
|
2.1
|
24.3
|
1.0
|
|
CE1
|
G:HIS240
|
2.2
|
21.6
|
1.0
|
|
O
|
G:HOH415
|
2.7
|
24.6
|
1.0
|
|
NE2
|
G:HIS240
|
2.9
|
24.6
|
1.0
|
|
C1A
|
G:HEM401
|
3.0
|
25.0
|
1.0
|
|
C1C
|
G:HEM401
|
3.1
|
25.0
|
1.0
|
|
C4D
|
G:HEM401
|
3.1
|
24.3
|
1.0
|
|
C4B
|
G:HEM401
|
3.1
|
26.0
|
1.0
|
|
C4A
|
G:HEM401
|
3.1
|
28.7
|
1.0
|
|
C4C
|
G:HEM401
|
3.1
|
27.1
|
1.0
|
|
C1B
|
G:HEM401
|
3.1
|
24.6
|
1.0
|
|
C1D
|
G:HEM401
|
3.1
|
24.8
|
1.0
|
|
ND1
|
G:HIS240
|
3.4
|
23.8
|
1.0
|
|
CHA
|
G:HEM401
|
3.4
|
22.6
|
1.0
|
|
CHC
|
G:HEM401
|
3.4
|
24.2
|
1.0
|
|
CHB
|
G:HEM401
|
3.5
|
28.0
|
1.0
|
|
CHD
|
G:HEM401
|
3.5
|
23.6
|
1.0
|
|
CD2
|
G:HIS240
|
4.2
|
20.8
|
1.0
|
|
C2A
|
G:HEM401
|
4.3
|
24.5
|
1.0
|
|
C3A
|
G:HEM401
|
4.3
|
27.8
|
1.0
|
|
C2C
|
G:HEM401
|
4.3
|
25.8
|
1.0
|
|
C3B
|
G:HEM401
|
4.3
|
21.9
|
1.0
|
|
C3D
|
G:HEM401
|
4.3
|
24.8
|
1.0
|
|
C3C
|
G:HEM401
|
4.3
|
24.8
|
1.0
|
|
C2B
|
G:HEM401
|
4.3
|
24.8
|
1.0
|
|
C2D
|
G:HEM401
|
4.3
|
22.7
|
1.0
|
|
CD1
|
G:TRP402
|
4.4
|
29.5
|
1.0
|
|
CG
|
G:HIS240
|
4.4
|
23.2
|
1.0
|
|
NE1
|
G:TRP402
|
4.6
|
31.1
|
1.0
|
|
CG2
|
G:VAL244
|
4.6
|
20.8
|
1.0
|
|
N
|
G:TRP402
|
4.8
|
23.2
|
1.0
|
|
CA
|
G:GLY125
|
4.9
|
26.5
|
1.0
|
|
N
|
G:GLY125
|
4.9
|
25.7
|
1.0
|
|
Iron binding site 8 out
of 8 in 3e08
Go back to
Iron Binding Sites List in 3e08
Iron binding site 8 out
of 8 in the H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of H55S Mutant Xanthomonas Campestris Tryptophan 2,3- Dioxygenase within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe401
b:25.7
occ:1.00
|
FE
|
H:HEM401
|
0.0
|
25.7
|
1.0
|
|
NC
|
H:HEM401
|
2.0
|
22.7
|
1.0
|
|
NB
|
H:HEM401
|
2.1
|
27.1
|
1.0
|
|
NA
|
H:HEM401
|
2.1
|
27.7
|
1.0
|
|
ND
|
H:HEM401
|
2.1
|
23.3
|
1.0
|
|
CE1
|
H:HIS240
|
2.2
|
22.3
|
1.0
|
|
O
|
H:HOH662
|
2.8
|
25.1
|
1.0
|
|
NE2
|
H:HIS240
|
3.0
|
25.9
|
1.0
|
|
C4C
|
H:HEM401
|
3.0
|
25.8
|
1.0
|
|
C1D
|
H:HEM401
|
3.1
|
23.7
|
1.0
|
|
C1C
|
H:HEM401
|
3.1
|
26.9
|
1.0
|
|
C1B
|
H:HEM401
|
3.1
|
27.1
|
1.0
|
|
C4B
|
H:HEM401
|
3.1
|
29.6
|
1.0
|
|
C4A
|
H:HEM401
|
3.1
|
28.1
|
1.0
|
|
C1A
|
H:HEM401
|
3.1
|
28.0
|
1.0
|
|
C4D
|
H:HEM401
|
3.1
|
26.9
|
1.0
|
|
ND1
|
H:HIS240
|
3.3
|
27.1
|
1.0
|
|
CHD
|
H:HEM401
|
3.4
|
23.5
|
1.0
|
|
CHB
|
H:HEM401
|
3.4
|
27.2
|
1.0
|
|
CHC
|
H:HEM401
|
3.5
|
25.2
|
1.0
|
|
CHA
|
H:HEM401
|
3.5
|
24.5
|
1.0
|
|
CD2
|
H:HIS240
|
4.2
|
22.1
|
1.0
|
|
C3C
|
H:HEM401
|
4.3
|
29.9
|
1.0
|
|
C2C
|
H:HEM401
|
4.3
|
27.8
|
1.0
|
|
C2B
|
H:HEM401
|
4.3
|
28.1
|
1.0
|
|
C2D
|
H:HEM401
|
4.3
|
20.5
|
1.0
|
|
C3B
|
H:HEM401
|
4.3
|
28.5
|
1.0
|
|
C3A
|
H:HEM401
|
4.3
|
29.8
|
1.0
|
|
C2A
|
H:HEM401
|
4.3
|
30.3
|
1.0
|
|
C3D
|
H:HEM401
|
4.3
|
26.5
|
1.0
|
|
CG
|
H:HIS240
|
4.4
|
20.0
|
1.0
|
|
CD1
|
H:TRP402
|
4.5
|
33.4
|
1.0
|
|
N
|
H:TRP402
|
4.7
|
27.6
|
1.0
|
|
CG2
|
H:VAL244
|
4.7
|
25.6
|
1.0
|
|
NE1
|
H:TRP402
|
4.7
|
32.8
|
1.0
|
|
CA
|
H:GLY125
|
4.9
|
25.2
|
1.0
|
|
N
|
H:GLY125
|
4.9
|
28.1
|
1.0
|
|
Reference:
S.J.Thackray,
C.Bruckmann,
J.L.Anderson,
L.P.Campbell,
R.Xiao,
L.Zhao,
C.G.Mowat,
F.Forouhar,
L.Tong,
S.K.Chapman.
Histidine 55 of Tryptophan 2,3-Dioxygenase Is Not An Active Site Base But Regulates Catalysis By Controlling Substrate Binding Biochemistry V. 47 10677 2008.
ISSN: ISSN 0006-2960
PubMed: 18783250
DOI: 10.1021/BI801202A
Page generated: Sun Aug 4 09:14:09 2024
|
