Iron in PDB 3bk9: H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
Enzymatic activity of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
All present enzymatic activity of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris:
1.13.11.11;
Protein crystallography data
The structure of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris, PDB code: 3bk9
was solved by
C.Bruckmann,
C.G.Mowat,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
54.13 /
2.15
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.222,
117.606,
139.283,
90.00,
95.73,
90.00
|
|
R / Rfree (%)
|
20 /
28.5
|
Iron Binding Sites:
The binding sites of Iron atom in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
(pdb code 3bk9). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris, PDB code: 3bk9:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 3bk9
Go back to
Iron Binding Sites List in 3bk9
Iron binding site 1 out
of 8 in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:11.5
occ:1.00
|
FE
|
A:HEM401
|
0.0
|
11.5
|
1.0
|
|
NB
|
A:HEM401
|
1.9
|
11.3
|
1.0
|
|
ND
|
A:HEM401
|
2.0
|
7.3
|
1.0
|
|
NC
|
A:HEM401
|
2.1
|
10.8
|
1.0
|
|
NA
|
A:HEM401
|
2.1
|
8.3
|
1.0
|
|
NE2
|
A:HIS240
|
2.3
|
13.4
|
1.0
|
|
O
|
A:HOH552
|
2.8
|
2.0
|
1.0
|
|
C4B
|
A:HEM401
|
2.9
|
9.5
|
1.0
|
|
C4D
|
A:HEM401
|
3.0
|
6.9
|
1.0
|
|
C1B
|
A:HEM401
|
3.0
|
4.5
|
1.0
|
|
C1C
|
A:HEM401
|
3.1
|
9.9
|
1.0
|
|
C1D
|
A:HEM401
|
3.1
|
8.5
|
1.0
|
|
C1A
|
A:HEM401
|
3.1
|
4.9
|
1.0
|
|
C4A
|
A:HEM401
|
3.1
|
7.6
|
1.0
|
|
C4C
|
A:HEM401
|
3.2
|
10.9
|
1.0
|
|
CE1
|
A:HIS240
|
3.2
|
10.3
|
1.0
|
|
CD2
|
A:HIS240
|
3.3
|
8.5
|
1.0
|
|
CHC
|
A:HEM401
|
3.3
|
9.0
|
1.0
|
|
CHB
|
A:HEM401
|
3.4
|
4.4
|
1.0
|
|
CHA
|
A:HEM401
|
3.4
|
5.0
|
1.0
|
|
CHD
|
A:HEM401
|
3.5
|
11.7
|
1.0
|
|
C3B
|
A:HEM401
|
4.2
|
8.5
|
1.0
|
|
C2B
|
A:HEM401
|
4.2
|
6.9
|
1.0
|
|
C3D
|
A:HEM401
|
4.2
|
7.8
|
1.0
|
|
C2D
|
A:HEM401
|
4.3
|
4.8
|
1.0
|
|
ND1
|
A:HIS240
|
4.3
|
9.7
|
1.0
|
|
C2C
|
A:HEM401
|
4.3
|
11.2
|
1.0
|
|
C2A
|
A:HEM401
|
4.3
|
6.8
|
1.0
|
|
C3C
|
A:HEM401
|
4.4
|
11.8
|
1.0
|
|
C3A
|
A:HEM401
|
4.4
|
5.6
|
1.0
|
|
CG
|
A:HIS240
|
4.4
|
11.1
|
1.0
|
|
CD1
|
A:TRP402
|
4.6
|
19.3
|
1.0
|
|
N
|
A:TRP402
|
4.6
|
15.1
|
1.0
|
|
CA
|
A:TRP402
|
4.8
|
16.5
|
1.0
|
|
N
|
A:GLY125
|
4.9
|
10.5
|
1.0
|
|
CG2
|
A:VAL244
|
4.9
|
2.0
|
1.0
|
|
Iron binding site 2 out
of 8 in 3bk9
Go back to
Iron Binding Sites List in 3bk9
Iron binding site 2 out
of 8 in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe401
b:10.6
occ:1.00
|
FE
|
B:HEM401
|
0.0
|
10.6
|
1.0
|
|
NB
|
B:HEM401
|
1.9
|
6.0
|
1.0
|
|
ND
|
B:HEM401
|
2.0
|
5.3
|
1.0
|
|
NA
|
B:HEM401
|
2.1
|
6.1
|
1.0
|
|
NC
|
B:HEM401
|
2.1
|
7.1
|
1.0
|
|
NE2
|
B:HIS240
|
2.2
|
3.4
|
1.0
|
|
O
|
B:HOH1541
|
2.6
|
8.3
|
1.0
|
|
C4B
|
B:HEM401
|
2.9
|
5.9
|
1.0
|
|
C1B
|
B:HEM401
|
2.9
|
2.0
|
1.0
|
|
C4D
|
B:HEM401
|
3.0
|
2.0
|
1.0
|
|
C1C
|
B:HEM401
|
3.0
|
5.4
|
1.0
|
|
C4A
|
B:HEM401
|
3.1
|
2.0
|
1.0
|
|
C1D
|
B:HEM401
|
3.1
|
6.3
|
1.0
|
|
C1A
|
B:HEM401
|
3.1
|
2.0
|
1.0
|
|
C4C
|
B:HEM401
|
3.1
|
3.1
|
1.0
|
|
CE1
|
B:HIS240
|
3.1
|
5.8
|
1.0
|
|
CD2
|
B:HIS240
|
3.2
|
2.0
|
1.0
|
|
CHB
|
B:HEM401
|
3.3
|
4.8
|
1.0
|
|
CHA
|
B:HEM401
|
3.4
|
3.1
|
1.0
|
|
CHC
|
B:HEM401
|
3.4
|
7.0
|
1.0
|
|
CHD
|
B:HEM401
|
3.5
|
6.8
|
1.0
|
|
C3B
|
B:HEM401
|
4.1
|
2.0
|
1.0
|
|
C2B
|
B:HEM401
|
4.1
|
2.0
|
1.0
|
|
C3D
|
B:HEM401
|
4.2
|
4.9
|
1.0
|
|
C2D
|
B:HEM401
|
4.2
|
2.0
|
1.0
|
|
C2C
|
B:HEM401
|
4.2
|
5.0
|
1.0
|
|
ND1
|
B:HIS240
|
4.3
|
4.8
|
1.0
|
|
C3A
|
B:HEM401
|
4.3
|
2.8
|
1.0
|
|
C3C
|
B:HEM401
|
4.3
|
9.5
|
1.0
|
|
C2A
|
B:HEM401
|
4.3
|
6.1
|
1.0
|
|
CG
|
B:HIS240
|
4.3
|
5.3
|
1.0
|
|
CD1
|
B:TRP402
|
4.6
|
7.4
|
1.0
|
|
N
|
B:GLY125
|
4.8
|
8.0
|
1.0
|
|
N
|
B:TRP402
|
4.8
|
7.6
|
1.0
|
|
CG2
|
B:VAL244
|
4.8
|
3.8
|
1.0
|
|
NE1
|
B:TRP402
|
4.9
|
18.5
|
1.0
|
|
Iron binding site 3 out
of 8 in 3bk9
Go back to
Iron Binding Sites List in 3bk9
Iron binding site 3 out
of 8 in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe401
b:15.3
occ:1.00
|
FE
|
C:HEM401
|
0.0
|
15.3
|
1.0
|
|
NB
|
C:HEM401
|
1.9
|
6.0
|
1.0
|
|
ND
|
C:HEM401
|
1.9
|
13.6
|
1.0
|
|
NA
|
C:HEM401
|
2.1
|
11.4
|
1.0
|
|
NC
|
C:HEM401
|
2.1
|
10.9
|
1.0
|
|
NE2
|
C:HIS240
|
2.3
|
11.2
|
1.0
|
|
O
|
C:HOH632
|
2.9
|
17.9
|
1.0
|
|
C1B
|
C:HEM401
|
2.9
|
7.3
|
1.0
|
|
C4B
|
C:HEM401
|
3.0
|
6.6
|
1.0
|
|
C4D
|
C:HEM401
|
3.0
|
12.4
|
1.0
|
|
C1D
|
C:HEM401
|
3.0
|
12.4
|
1.0
|
|
C4A
|
C:HEM401
|
3.0
|
10.9
|
1.0
|
|
C4C
|
C:HEM401
|
3.1
|
12.0
|
1.0
|
|
C1C
|
C:HEM401
|
3.2
|
8.1
|
1.0
|
|
C1A
|
C:HEM401
|
3.2
|
4.1
|
1.0
|
|
CE1
|
C:HIS240
|
3.2
|
11.3
|
1.0
|
|
CD2
|
C:HIS240
|
3.3
|
9.9
|
1.0
|
|
CHB
|
C:HEM401
|
3.3
|
9.2
|
1.0
|
|
CHD
|
C:HEM401
|
3.4
|
11.0
|
1.0
|
|
CHA
|
C:HEM401
|
3.5
|
9.6
|
1.0
|
|
CHC
|
C:HEM401
|
3.5
|
7.6
|
1.0
|
|
C3B
|
C:HEM401
|
4.1
|
6.0
|
1.0
|
|
C2B
|
C:HEM401
|
4.2
|
8.1
|
1.0
|
|
C2D
|
C:HEM401
|
4.2
|
8.1
|
1.0
|
|
C3D
|
C:HEM401
|
4.2
|
7.6
|
1.0
|
|
ND1
|
C:HIS240
|
4.3
|
10.3
|
1.0
|
|
C3A
|
C:HEM401
|
4.3
|
9.7
|
1.0
|
|
C3C
|
C:HEM401
|
4.3
|
14.3
|
1.0
|
|
C2C
|
C:HEM401
|
4.3
|
9.0
|
1.0
|
|
CG
|
C:HIS240
|
4.4
|
15.2
|
1.0
|
|
C2A
|
C:HEM401
|
4.4
|
9.2
|
1.0
|
|
CD1
|
C:TRP402
|
4.5
|
27.8
|
1.0
|
|
N
|
C:TRP402
|
4.7
|
13.7
|
1.0
|
|
CG2
|
C:VAL244
|
4.8
|
9.4
|
1.0
|
|
N
|
C:GLY125
|
4.9
|
14.1
|
1.0
|
|
NE1
|
C:TRP402
|
4.9
|
31.7
|
1.0
|
|
CA
|
C:TRP402
|
5.0
|
15.7
|
1.0
|
|
Iron binding site 4 out
of 8 in 3bk9
Go back to
Iron Binding Sites List in 3bk9
Iron binding site 4 out
of 8 in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe401
b:14.6
occ:1.00
|
FE
|
D:HEM401
|
0.0
|
14.6
|
1.0
|
|
ND
|
D:HEM401
|
1.9
|
10.2
|
1.0
|
|
NB
|
D:HEM401
|
1.9
|
7.3
|
1.0
|
|
NA
|
D:HEM401
|
2.0
|
13.5
|
1.0
|
|
NC
|
D:HEM401
|
2.1
|
9.7
|
1.0
|
|
NE2
|
D:HIS240
|
2.4
|
8.7
|
1.0
|
|
O
|
D:HOH621
|
2.7
|
10.1
|
1.0
|
|
C4B
|
D:HEM401
|
2.8
|
6.2
|
1.0
|
|
C4D
|
D:HEM401
|
2.9
|
12.2
|
1.0
|
|
C1A
|
D:HEM401
|
3.0
|
7.5
|
1.0
|
|
C1D
|
D:HEM401
|
3.0
|
8.9
|
1.0
|
|
C1C
|
D:HEM401
|
3.0
|
7.8
|
1.0
|
|
C1B
|
D:HEM401
|
3.0
|
8.2
|
1.0
|
|
C4A
|
D:HEM401
|
3.1
|
9.6
|
1.0
|
|
C4C
|
D:HEM401
|
3.2
|
9.7
|
1.0
|
|
CHC
|
D:HEM401
|
3.2
|
10.7
|
1.0
|
|
CHA
|
D:HEM401
|
3.3
|
9.0
|
1.0
|
|
CE1
|
D:HIS240
|
3.3
|
10.9
|
1.0
|
|
CD2
|
D:HIS240
|
3.3
|
7.2
|
1.0
|
|
CHB
|
D:HEM401
|
3.5
|
11.3
|
1.0
|
|
CHD
|
D:HEM401
|
3.5
|
10.6
|
1.0
|
|
C3D
|
D:HEM401
|
4.1
|
5.6
|
1.0
|
|
C3B
|
D:HEM401
|
4.1
|
5.8
|
1.0
|
|
C2D
|
D:HEM401
|
4.2
|
3.5
|
1.0
|
|
C2A
|
D:HEM401
|
4.2
|
7.4
|
1.0
|
|
C2B
|
D:HEM401
|
4.3
|
6.4
|
1.0
|
|
C3A
|
D:HEM401
|
4.3
|
7.7
|
1.0
|
|
C2C
|
D:HEM401
|
4.3
|
8.5
|
1.0
|
|
C3C
|
D:HEM401
|
4.4
|
13.9
|
1.0
|
|
ND1
|
D:HIS240
|
4.4
|
9.2
|
1.0
|
|
CD1
|
D:TRP402
|
4.4
|
18.8
|
1.0
|
|
N
|
D:TRP402
|
4.4
|
14.9
|
1.0
|
|
CG
|
D:HIS240
|
4.5
|
12.8
|
1.0
|
|
NE1
|
D:TRP402
|
4.7
|
26.5
|
1.0
|
|
CG2
|
D:VAL244
|
4.7
|
2.5
|
1.0
|
|
N
|
D:GLY125
|
4.7
|
20.8
|
1.0
|
|
CA
|
D:GLY125
|
4.8
|
16.8
|
1.0
|
|
CA
|
D:TRP402
|
5.0
|
17.5
|
1.0
|
|
Iron binding site 5 out
of 8 in 3bk9
Go back to
Iron Binding Sites List in 3bk9
Iron binding site 5 out
of 8 in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe401
b:25.0
occ:1.00
|
FE
|
E:HEM401
|
0.0
|
25.0
|
1.0
|
|
NC
|
E:HEM401
|
2.1
|
22.3
|
1.0
|
|
NA
|
E:HEM401
|
2.1
|
23.1
|
1.0
|
|
NB
|
E:HEM401
|
2.1
|
22.8
|
1.0
|
|
ND
|
E:HEM401
|
2.3
|
22.1
|
1.0
|
|
NE2
|
E:HIS240
|
2.3
|
14.3
|
1.0
|
|
O
|
E:HOH642
|
2.6
|
10.0
|
1.0
|
|
C4C
|
E:HEM401
|
3.1
|
21.8
|
1.0
|
|
C1B
|
E:HEM401
|
3.1
|
21.5
|
1.0
|
|
C4A
|
E:HEM401
|
3.1
|
23.6
|
1.0
|
|
C1C
|
E:HEM401
|
3.1
|
27.2
|
1.0
|
|
C4B
|
E:HEM401
|
3.1
|
24.5
|
1.0
|
|
C1A
|
E:HEM401
|
3.2
|
23.5
|
1.0
|
|
C1D
|
E:HEM401
|
3.2
|
16.4
|
1.0
|
|
CE1
|
E:HIS240
|
3.2
|
15.1
|
1.0
|
|
C4D
|
E:HEM401
|
3.2
|
20.9
|
1.0
|
|
CD2
|
E:HIS240
|
3.3
|
16.6
|
1.0
|
|
CHB
|
E:HEM401
|
3.4
|
24.4
|
1.0
|
|
CHD
|
E:HEM401
|
3.4
|
20.5
|
1.0
|
|
CHC
|
E:HEM401
|
3.5
|
24.0
|
1.0
|
|
CHA
|
E:HEM401
|
3.5
|
19.6
|
1.0
|
|
C3C
|
E:HEM401
|
4.3
|
27.0
|
1.0
|
|
C2C
|
E:HEM401
|
4.3
|
26.0
|
1.0
|
|
C2B
|
E:HEM401
|
4.3
|
24.1
|
1.0
|
|
C3B
|
E:HEM401
|
4.4
|
26.8
|
1.0
|
|
C3A
|
E:HEM401
|
4.4
|
21.1
|
1.0
|
|
ND1
|
E:HIS240
|
4.4
|
12.2
|
1.0
|
|
C2A
|
E:HEM401
|
4.4
|
23.1
|
1.0
|
|
CG
|
E:HIS240
|
4.5
|
17.2
|
1.0
|
|
C2D
|
E:HEM401
|
4.5
|
16.2
|
1.0
|
|
C3D
|
E:HEM401
|
4.5
|
18.6
|
1.0
|
|
CD1
|
E:TRP402
|
4.6
|
33.5
|
1.0
|
|
N
|
E:TRP402
|
4.7
|
29.9
|
1.0
|
|
CA
|
E:GLY125
|
4.8
|
27.0
|
1.0
|
|
CG2
|
E:VAL244
|
4.8
|
17.4
|
1.0
|
|
N
|
E:GLY125
|
4.8
|
26.0
|
1.0
|
|
CA
|
E:TRP402
|
5.0
|
30.9
|
1.0
|
|
Iron binding site 6 out
of 8 in 3bk9
Go back to
Iron Binding Sites List in 3bk9
Iron binding site 6 out
of 8 in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe401
b:24.2
occ:1.00
|
FE
|
F:HEM401
|
0.0
|
24.2
|
1.0
|
|
NA
|
F:HEM401
|
2.0
|
14.9
|
1.0
|
|
NC
|
F:HEM401
|
2.1
|
19.6
|
1.0
|
|
NB
|
F:HEM401
|
2.2
|
17.3
|
1.0
|
|
NE2
|
F:HIS240
|
2.2
|
20.5
|
1.0
|
|
ND
|
F:HEM401
|
2.3
|
18.6
|
1.0
|
|
O
|
F:HOH662
|
2.9
|
22.9
|
1.0
|
|
C1A
|
F:HEM401
|
3.0
|
17.3
|
1.0
|
|
C4A
|
F:HEM401
|
3.0
|
17.0
|
1.0
|
|
C1C
|
F:HEM401
|
3.1
|
20.3
|
1.0
|
|
C4C
|
F:HEM401
|
3.1
|
22.9
|
1.0
|
|
CE1
|
F:HIS240
|
3.1
|
22.2
|
1.0
|
|
C4B
|
F:HEM401
|
3.2
|
21.3
|
1.0
|
|
C1B
|
F:HEM401
|
3.2
|
14.9
|
1.0
|
|
C4D
|
F:HEM401
|
3.2
|
18.2
|
1.0
|
|
C1D
|
F:HEM401
|
3.3
|
22.4
|
1.0
|
|
CD2
|
F:HIS240
|
3.3
|
15.5
|
1.0
|
|
CHA
|
F:HEM401
|
3.4
|
17.4
|
1.0
|
|
CHC
|
F:HEM401
|
3.4
|
17.1
|
1.0
|
|
CHB
|
F:HEM401
|
3.5
|
19.2
|
1.0
|
|
CHD
|
F:HEM401
|
3.6
|
22.0
|
1.0
|
|
C2A
|
F:HEM401
|
4.2
|
14.1
|
1.0
|
|
C3A
|
F:HEM401
|
4.2
|
16.2
|
1.0
|
|
ND1
|
F:HIS240
|
4.3
|
23.1
|
1.0
|
|
C2C
|
F:HEM401
|
4.3
|
24.6
|
1.0
|
|
C3C
|
F:HEM401
|
4.3
|
27.1
|
1.0
|
|
CG
|
F:HIS240
|
4.4
|
18.2
|
1.0
|
|
C3B
|
F:HEM401
|
4.4
|
20.2
|
1.0
|
|
C2B
|
F:HEM401
|
4.4
|
18.3
|
1.0
|
|
C3D
|
F:HEM401
|
4.5
|
23.3
|
1.0
|
|
CD1
|
F:TRP402
|
4.5
|
29.6
|
1.0
|
|
C2D
|
F:HEM401
|
4.5
|
21.5
|
1.0
|
|
N
|
F:TRP402
|
4.7
|
25.8
|
1.0
|
|
NE1
|
F:TRP402
|
4.7
|
35.9
|
1.0
|
|
N
|
F:GLY125
|
4.8
|
28.4
|
1.0
|
|
CG2
|
F:VAL244
|
4.8
|
13.4
|
1.0
|
|
CA
|
F:GLY125
|
4.9
|
29.4
|
1.0
|
|
CA
|
F:TRP402
|
5.0
|
26.1
|
1.0
|
|
Iron binding site 7 out
of 8 in 3bk9
Go back to
Iron Binding Sites List in 3bk9
Iron binding site 7 out
of 8 in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe401
b:30.6
occ:1.00
|
FE
|
G:HEM401
|
0.0
|
30.6
|
1.0
|
|
NA
|
G:HEM401
|
2.1
|
26.7
|
1.0
|
|
NB
|
G:HEM401
|
2.1
|
24.3
|
1.0
|
|
ND
|
G:HEM401
|
2.1
|
25.0
|
1.0
|
|
NC
|
G:HEM401
|
2.2
|
30.7
|
1.0
|
|
NE2
|
G:HIS240
|
2.4
|
19.1
|
1.0
|
|
O
|
G:HOH663
|
2.9
|
27.3
|
1.0
|
|
C1D
|
G:HEM401
|
3.0
|
22.9
|
1.0
|
|
C1B
|
G:HEM401
|
3.0
|
24.2
|
1.0
|
|
C4A
|
G:HEM401
|
3.1
|
25.6
|
1.0
|
|
C4C
|
G:HEM401
|
3.1
|
29.8
|
1.0
|
|
C4B
|
G:HEM401
|
3.2
|
26.9
|
1.0
|
|
C4D
|
G:HEM401
|
3.2
|
23.5
|
1.0
|
|
C1A
|
G:HEM401
|
3.2
|
28.5
|
1.0
|
|
CE1
|
G:HIS240
|
3.2
|
14.4
|
1.0
|
|
C1C
|
G:HEM401
|
3.2
|
31.4
|
1.0
|
|
CHB
|
G:HEM401
|
3.3
|
24.5
|
1.0
|
|
CHD
|
G:HEM401
|
3.4
|
25.9
|
1.0
|
|
CD2
|
G:HIS240
|
3.4
|
11.8
|
1.0
|
|
CHA
|
G:HEM401
|
3.6
|
23.2
|
1.0
|
|
CHC
|
G:HEM401
|
3.6
|
26.6
|
1.0
|
|
C2D
|
G:HEM401
|
4.3
|
20.6
|
1.0
|
|
C2B
|
G:HEM401
|
4.3
|
25.6
|
1.0
|
|
C3A
|
G:HEM401
|
4.3
|
24.2
|
1.0
|
|
C3D
|
G:HEM401
|
4.4
|
23.6
|
1.0
|
|
C3B
|
G:HEM401
|
4.4
|
26.6
|
1.0
|
|
C2A
|
G:HEM401
|
4.4
|
23.8
|
1.0
|
|
C3C
|
G:HEM401
|
4.4
|
31.7
|
1.0
|
|
ND1
|
G:HIS240
|
4.4
|
20.4
|
1.0
|
|
C2C
|
G:HEM401
|
4.4
|
30.2
|
1.0
|
|
CG
|
G:HIS240
|
4.5
|
19.3
|
1.0
|
|
CD1
|
G:TRP402
|
4.5
|
39.4
|
1.0
|
|
N
|
G:TRP402
|
4.7
|
30.1
|
1.0
|
|
N
|
G:GLY125
|
4.7
|
28.9
|
1.0
|
|
CG2
|
G:VAL244
|
4.7
|
18.2
|
1.0
|
|
CA
|
G:GLY125
|
4.8
|
29.1
|
1.0
|
|
NE1
|
G:TRP402
|
4.9
|
43.5
|
1.0
|
|
CA
|
G:TRP402
|
4.9
|
31.3
|
1.0
|
|
Iron binding site 8 out
of 8 in 3bk9
Go back to
Iron Binding Sites List in 3bk9
Iron binding site 8 out
of 8 in the H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of H55A Mutant of Tryptophan 2,3-Dioxygenase From Xanthomonas Campestris within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe401
b:27.9
occ:1.00
|
FE
|
H:HEM401
|
0.0
|
27.9
|
1.0
|
|
NB
|
H:HEM401
|
2.1
|
27.4
|
1.0
|
|
NC
|
H:HEM401
|
2.1
|
23.9
|
1.0
|
|
NA
|
H:HEM401
|
2.1
|
21.6
|
1.0
|
|
ND
|
H:HEM401
|
2.2
|
24.4
|
1.0
|
|
NE2
|
H:HIS240
|
2.2
|
14.0
|
1.0
|
|
O
|
H:HOH1542
|
2.9
|
22.3
|
1.0
|
|
C4B
|
H:HEM401
|
3.1
|
26.8
|
1.0
|
|
C1C
|
H:HEM401
|
3.1
|
23.6
|
1.0
|
|
C4A
|
H:HEM401
|
3.1
|
22.6
|
1.0
|
|
C1A
|
H:HEM401
|
3.1
|
21.9
|
1.0
|
|
C4C
|
H:HEM401
|
3.1
|
24.7
|
1.0
|
|
C1B
|
H:HEM401
|
3.2
|
26.1
|
1.0
|
|
C4D
|
H:HEM401
|
3.2
|
24.3
|
1.0
|
|
CD2
|
H:HIS240
|
3.2
|
15.3
|
1.0
|
|
CE1
|
H:HIS240
|
3.2
|
18.8
|
1.0
|
|
C1D
|
H:HEM401
|
3.2
|
23.0
|
1.0
|
|
CHC
|
H:HEM401
|
3.4
|
23.1
|
1.0
|
|
CHB
|
H:HEM401
|
3.5
|
26.5
|
1.0
|
|
CHA
|
H:HEM401
|
3.5
|
21.7
|
1.0
|
|
CHD
|
H:HEM401
|
3.5
|
22.6
|
1.0
|
|
ND1
|
H:HIS240
|
4.3
|
16.8
|
1.0
|
|
CG
|
H:HIS240
|
4.3
|
17.5
|
1.0
|
|
C3B
|
H:HEM401
|
4.3
|
27.4
|
1.0
|
|
C2A
|
H:HEM401
|
4.4
|
22.1
|
1.0
|
|
C3C
|
H:HEM401
|
4.4
|
24.8
|
1.0
|
|
C2C
|
H:HEM401
|
4.4
|
24.4
|
1.0
|
|
C3A
|
H:HEM401
|
4.4
|
23.8
|
1.0
|
|
C3D
|
H:HEM401
|
4.4
|
24.6
|
1.0
|
|
C2B
|
H:HEM401
|
4.4
|
24.7
|
1.0
|
|
C2D
|
H:HEM401
|
4.4
|
22.4
|
1.0
|
|
CD1
|
H:TRP402
|
4.5
|
36.1
|
1.0
|
|
N
|
H:TRP402
|
4.5
|
33.0
|
1.0
|
|
NE1
|
H:TRP402
|
4.8
|
42.0
|
1.0
|
|
CA
|
H:GLY125
|
4.9
|
31.3
|
1.0
|
|
CG2
|
H:VAL244
|
4.9
|
19.3
|
1.0
|
|
N
|
H:GLY125
|
4.9
|
30.9
|
1.0
|
|
Reference:
S.J.Thackray,
C.Bruckmann,
J.L.R.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 Dec 13 15:01:59 2020
|
