Iron in PDB 7q05: Crystal Structure of Tpado in Complex with Tpa
Enzymatic activity of Crystal Structure of Tpado in Complex with Tpa
All present enzymatic activity of Crystal Structure of Tpado in Complex with Tpa:
1.14.12.15;
3.2.1.17;
Protein crystallography data
The structure of Crystal Structure of Tpado in Complex with Tpa, PDB code: 7q05
was solved by
M.Zahn,
W.M.Kincannon,
J.L.Dubois,
J.E.Mcgeehan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
190.28 /
2.08
|
|
Space group
|
P 61
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
219.714,
219.714,
82.964,
90,
90,
120
|
|
R / Rfree (%)
|
16.8 /
21.4
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Tpado in Complex with Tpa
(pdb code 7q05). 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 Tpado in Complex with Tpa, PDB code: 7q05:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 7q05
Go back to
Iron Binding Sites List in 7q05
Iron binding site 1 out
of 8 in the Crystal Structure of Tpado in Complex with Tpa
 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 Tpado in Complex with Tpa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:46.5
occ:1.00
|
FE1
|
D:FES501
|
0.0
|
46.5
|
1.0
|
|
HD1
|
D:HIS84
|
1.2
|
0.5
|
0.0
|
|
HD1
|
D:HIS105
|
1.4
|
0.5
|
0.0
|
|
ND1
|
D:HIS84
|
2.1
|
48.0
|
1.0
|
|
ND1
|
D:HIS105
|
2.1
|
42.3
|
1.0
|
|
S1
|
D:FES501
|
2.2
|
43.5
|
1.0
|
|
S2
|
D:FES501
|
2.2
|
46.4
|
1.0
|
|
FE2
|
D:FES501
|
2.7
|
45.5
|
1.0
|
|
HB3
|
D:HIS84
|
2.8
|
48.3
|
1.0
|
|
HB2
|
D:HIS105
|
3.0
|
46.9
|
1.0
|
|
CE1
|
D:HIS105
|
3.0
|
41.9
|
1.0
|
|
HB3
|
D:TYR104
|
3.0
|
43.1
|
1.0
|
|
CE1
|
D:HIS84
|
3.0
|
50.1
|
1.0
|
|
CG
|
D:HIS84
|
3.1
|
50.0
|
1.0
|
|
CG
|
D:HIS105
|
3.1
|
44.3
|
1.0
|
|
HE1
|
D:HIS105
|
3.1
|
41.4
|
1.0
|
|
HE1
|
D:HIS84
|
3.2
|
49.1
|
1.0
|
|
H
|
D:HIS105
|
3.3
|
44.8
|
1.0
|
|
CB
|
D:HIS84
|
3.4
|
48.9
|
1.0
|
|
CB
|
D:HIS105
|
3.5
|
47.3
|
1.0
|
|
HG
|
D:CYS82
|
3.5
|
0.5
|
0.0
|
|
H
|
D:ARG85
|
3.7
|
48.0
|
1.0
|
|
N
|
D:HIS105
|
3.7
|
44.8
|
1.0
|
|
HG
|
D:CYS102
|
3.7
|
0.5
|
0.0
|
|
HB2
|
D:HIS84
|
3.8
|
49.8
|
1.0
|
|
HB2
|
D:ARG85
|
3.9
|
49.7
|
1.0
|
|
CB
|
D:TYR104
|
4.0
|
42.6
|
1.0
|
|
NE2
|
D:HIS105
|
4.1
|
42.7
|
1.0
|
|
CA
|
D:HIS105
|
4.2
|
47.4
|
1.0
|
|
CD2
|
D:HIS105
|
4.2
|
44.8
|
1.0
|
|
NE2
|
D:HIS84
|
4.2
|
48.4
|
1.0
|
|
CD2
|
D:HIS84
|
4.2
|
51.0
|
1.0
|
|
HD2
|
D:TYR104
|
4.3
|
40.4
|
1.0
|
|
HB3
|
D:HIS105
|
4.3
|
47.9
|
1.0
|
|
N
|
D:ARG85
|
4.3
|
48.4
|
1.0
|
|
CG
|
D:TYR104
|
4.4
|
41.6
|
1.0
|
|
HG3
|
D:ARG85
|
4.4
|
53.9
|
1.0
|
|
SG
|
D:CYS82
|
4.4
|
47.1
|
1.0
|
|
C
|
D:TYR104
|
4.5
|
44.6
|
1.0
|
|
HB2
|
D:TYR104
|
4.5
|
41.8
|
1.0
|
|
CD2
|
D:TYR104
|
4.5
|
40.7
|
1.0
|
|
SG
|
D:CYS102
|
4.5
|
47.8
|
1.0
|
|
CA
|
D:HIS84
|
4.7
|
49.7
|
1.0
|
|
CB
|
D:ARG85
|
4.7
|
49.8
|
1.0
|
|
CA
|
D:TYR104
|
4.8
|
44.1
|
1.0
|
|
CD1
|
D:TRP107
|
4.8
|
50.1
|
1.0
|
|
NE1
|
D:TRP107
|
4.9
|
50.4
|
1.0
|
|
HE2
|
D:HIS105
|
4.9
|
0.5
|
0.0
|
|
HB3
|
D:CYS102
|
4.9
|
49.7
|
1.0
|
|
HD3
|
D:ARG85
|
4.9
|
57.5
|
1.0
|
|
C
|
D:HIS105
|
4.9
|
49.3
|
1.0
|
|
HE2
|
F:TYR209
|
5.0
|
51.0
|
1.0
|
|
HA
|
D:HIS105
|
5.0
|
47.5
|
1.0
|
|
C
|
D:HIS84
|
5.0
|
48.6
|
1.0
|
|
HD1
|
D:TRP107
|
5.0
|
50.0
|
1.0
|
|
CG
|
D:ARG85
|
5.0
|
53.0
|
1.0
|
|
HE2
|
D:HIS84
|
5.0
|
0.5
|
0.0
|
|
Iron binding site 2 out
of 8 in 7q05
Go back to
Iron Binding Sites List in 7q05
Iron binding site 2 out
of 8 in the Crystal Structure of Tpado in Complex with Tpa
 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 Tpado in Complex with Tpa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:45.5
occ:1.00
|
FE2
|
D:FES501
|
0.0
|
45.5
|
1.0
|
|
HG
|
D:CYS102
|
1.2
|
0.5
|
0.0
|
|
HG
|
D:CYS82
|
1.2
|
0.5
|
0.0
|
|
S1
|
D:FES501
|
2.2
|
43.5
|
1.0
|
|
S2
|
D:FES501
|
2.2
|
46.4
|
1.0
|
|
SG
|
D:CYS102
|
2.3
|
47.8
|
1.0
|
|
SG
|
D:CYS82
|
2.4
|
47.1
|
1.0
|
|
FE1
|
D:FES501
|
2.7
|
46.5
|
1.0
|
|
HB3
|
D:CYS102
|
3.0
|
49.7
|
1.0
|
|
HB3
|
D:CYS82
|
3.0
|
46.4
|
1.0
|
|
HB3
|
D:HIS84
|
3.1
|
48.3
|
1.0
|
|
CB
|
D:CYS82
|
3.1
|
46.8
|
1.0
|
|
CB
|
D:CYS102
|
3.1
|
49.1
|
1.0
|
|
HB2
|
D:CYS82
|
3.2
|
46.2
|
1.0
|
|
HB2
|
D:CYS102
|
3.3
|
48.9
|
1.0
|
|
HB3
|
D:TYR104
|
3.4
|
43.1
|
1.0
|
|
HD1
|
D:HIS105
|
3.6
|
0.5
|
0.0
|
|
HD1
|
D:HIS84
|
3.6
|
0.5
|
0.0
|
|
HB3
|
D:ALA87
|
3.6
|
45.5
|
1.0
|
|
H
|
D:HIS105
|
3.6
|
44.8
|
1.0
|
|
HB2
|
D:TRP107
|
3.9
|
48.4
|
1.0
|
|
H
|
D:ARG85
|
3.9
|
48.0
|
1.0
|
|
CB
|
D:HIS84
|
4.0
|
48.9
|
1.0
|
|
H
|
D:ALA87
|
4.2
|
43.8
|
1.0
|
|
H
|
D:TYR104
|
4.2
|
45.6
|
1.0
|
|
HB2
|
D:HIS84
|
4.2
|
49.8
|
1.0
|
|
HB2
|
D:TYR104
|
4.2
|
41.8
|
1.0
|
|
CB
|
D:TYR104
|
4.2
|
42.6
|
1.0
|
|
H
|
D:HIS84
|
4.2
|
48.3
|
1.0
|
|
ND1
|
D:HIS84
|
4.3
|
48.0
|
1.0
|
|
HH
|
D:TYR109
|
4.3
|
0.5
|
0.0
|
|
H
|
D:TRP107
|
4.3
|
48.8
|
1.0
|
|
ND1
|
D:HIS105
|
4.4
|
42.3
|
1.0
|
|
N
|
D:HIS105
|
4.5
|
44.8
|
1.0
|
|
CB
|
D:ALA87
|
4.5
|
44.6
|
1.0
|
|
CA
|
D:CYS102
|
4.6
|
48.3
|
1.0
|
|
CA
|
D:CYS82
|
4.6
|
47.6
|
1.0
|
|
HB2
|
D:ALA87
|
4.6
|
45.1
|
1.0
|
|
CG
|
D:HIS84
|
4.7
|
50.0
|
1.0
|
|
HB2
|
D:HIS105
|
4.7
|
46.9
|
1.0
|
|
HD2
|
D:TYR104
|
4.8
|
40.4
|
1.0
|
|
CB
|
D:TRP107
|
4.8
|
49.3
|
1.0
|
|
N
|
D:ARG85
|
4.8
|
48.4
|
1.0
|
|
H
|
D:GLY86
|
4.8
|
43.6
|
1.0
|
|
HE1
|
D:TYR109
|
4.9
|
50.6
|
1.0
|
|
N
|
D:ALA87
|
4.9
|
42.2
|
1.0
|
|
N
|
D:TYR104
|
4.9
|
46.4
|
1.0
|
|
HA
|
D:CYS102
|
4.9
|
47.7
|
1.0
|
|
HA
|
D:CYS82
|
4.9
|
47.6
|
1.0
|
|
CG
|
D:TRP107
|
4.9
|
49.4
|
1.0
|
|
C
|
D:CYS102
|
5.0
|
48.7
|
1.0
|
|
Iron binding site 3 out
of 8 in 7q05
Go back to
Iron Binding Sites List in 7q05
Iron binding site 3 out
of 8 in the Crystal Structure of Tpado in Complex with Tpa
 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 Tpado in Complex with Tpa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe505
b:102.0
occ:1.00
|
HE2
|
D:HIS215
|
1.5
|
0.5
|
0.0
|
|
HE2
|
D:HIS210
|
2.0
|
0.5
|
0.0
|
|
OD1
|
D:ASP356
|
2.3
|
56.8
|
1.0
|
|
NE2
|
D:HIS215
|
2.4
|
67.9
|
1.0
|
|
HE1
|
D:HIS210
|
2.4
|
59.3
|
1.0
|
|
NE2
|
D:HIS210
|
2.5
|
60.5
|
1.0
|
|
CE1
|
D:HIS210
|
2.7
|
59.5
|
1.0
|
|
HD21
|
D:ASN204
|
2.8
|
50.2
|
1.0
|
|
CG
|
D:ASP356
|
2.9
|
54.4
|
1.0
|
|
OD2
|
D:ASP356
|
2.9
|
61.5
|
1.0
|
|
CD2
|
D:HIS215
|
3.2
|
66.8
|
1.0
|
|
HD2
|
D:HIS215
|
3.3
|
67.8
|
1.0
|
|
CE1
|
D:HIS215
|
3.4
|
68.6
|
1.0
|
|
HE1
|
D:HIS215
|
3.7
|
67.3
|
1.0
|
|
ND2
|
D:ASN204
|
3.7
|
50.1
|
1.0
|
|
HD23
|
D:LEU214
|
3.8
|
62.1
|
1.0
|
|
CD2
|
D:HIS210
|
3.8
|
58.6
|
1.0
|
|
C03
|
D:UB7504
|
3.9
|
62.5
|
1.0
|
|
HA
|
D:ALA211
|
4.0
|
62.7
|
1.0
|
|
ND1
|
D:HIS210
|
4.0
|
60.0
|
1.0
|
|
C10
|
D:UB7504
|
4.1
|
61.8
|
1.0
|
|
HD22
|
D:ASN204
|
4.1
|
49.2
|
1.0
|
|
C02
|
D:UB7504
|
4.1
|
61.1
|
1.0
|
|
HE2
|
D:PHE218
|
4.2
|
84.9
|
1.0
|
|
H021
|
D:UB7504
|
4.2
|
61.0
|
1.0
|
|
O12
|
D:UB7504
|
4.2
|
57.5
|
1.0
|
|
CB
|
D:ASP356
|
4.3
|
49.8
|
1.0
|
|
HD2
|
D:HIS210
|
4.3
|
59.1
|
1.0
|
|
CG
|
D:HIS215
|
4.4
|
66.8
|
1.0
|
|
C04
|
D:UB7504
|
4.5
|
65.5
|
1.0
|
|
HB3
|
D:ASP356
|
4.5
|
49.9
|
1.0
|
|
HG23
|
D:ILE352
|
4.5
|
65.8
|
1.0
|
|
ND1
|
D:HIS215
|
4.5
|
68.7
|
1.0
|
|
HG21
|
D:ILE352
|
4.5
|
64.8
|
1.0
|
|
CG
|
D:HIS210
|
4.5
|
57.5
|
1.0
|
|
CG
|
D:ASN204
|
4.6
|
49.0
|
1.0
|
|
HD1
|
D:HIS210
|
4.6
|
0.5
|
0.0
|
|
OD1
|
D:ASN204
|
4.6
|
55.5
|
1.0
|
|
O11
|
D:UB7504
|
4.7
|
58.2
|
1.0
|
|
CD2
|
D:LEU214
|
4.7
|
62.4
|
1.0
|
|
HA
|
D:SER353
|
4.8
|
54.8
|
1.0
|
|
H041
|
D:UB7504
|
4.8
|
65.2
|
1.0
|
|
C01
|
D:UB7504
|
4.8
|
63.0
|
1.0
|
|
HB2
|
D:ASP356
|
4.9
|
49.9
|
1.0
|
|
CG2
|
D:ILE352
|
4.9
|
66.5
|
1.0
|
|
HA
|
D:ASP356
|
4.9
|
48.3
|
1.0
|
|
O
|
D:ASN204
|
4.9
|
42.5
|
1.0
|
|
CA
|
D:ALA211
|
5.0
|
64.8
|
1.0
|
|
HD21
|
D:LEU214
|
5.0
|
62.2
|
1.0
|
|
Iron binding site 4 out
of 8 in 7q05
Go back to
Iron Binding Sites List in 7q05
Iron binding site 4 out
of 8 in the Crystal Structure of Tpado in Complex with Tpa
 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 Tpado in Complex with Tpa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe501
b:41.5
occ:1.00
|
FE1
|
E:FES501
|
0.0
|
41.5
|
1.0
|
|
HG
|
E:CYS102
|
1.2
|
0.5
|
0.0
|
|
HG
|
E:CYS82
|
1.2
|
0.5
|
0.0
|
|
S2
|
E:FES501
|
2.2
|
39.1
|
1.0
|
|
S1
|
E:FES501
|
2.2
|
43.2
|
1.0
|
|
SG
|
E:CYS102
|
2.2
|
44.2
|
1.0
|
|
SG
|
E:CYS82
|
2.3
|
43.5
|
1.0
|
|
FE2
|
E:FES501
|
2.7
|
43.1
|
1.0
|
|
HB3
|
E:CYS82
|
3.0
|
41.7
|
1.0
|
|
HB3
|
E:CYS102
|
3.0
|
46.4
|
1.0
|
|
CB
|
E:CYS82
|
3.1
|
41.2
|
1.0
|
|
CB
|
E:CYS102
|
3.1
|
45.9
|
1.0
|
|
HB3
|
E:HIS84
|
3.1
|
46.9
|
1.0
|
|
HB2
|
E:CYS82
|
3.2
|
41.4
|
1.0
|
|
HB2
|
E:CYS102
|
3.3
|
45.3
|
1.0
|
|
HB3
|
E:TYR104
|
3.4
|
40.1
|
1.0
|
|
HB3
|
E:ALA87
|
3.5
|
42.7
|
1.0
|
|
HD1
|
E:HIS105
|
3.6
|
0.5
|
0.0
|
|
HD1
|
E:HIS84
|
3.6
|
0.5
|
0.0
|
|
H
|
E:HIS105
|
3.7
|
40.3
|
1.0
|
|
HB2
|
E:TRP107
|
3.9
|
43.6
|
1.0
|
|
H
|
E:ARG85
|
3.9
|
45.6
|
1.0
|
|
CB
|
E:HIS84
|
4.1
|
48.1
|
1.0
|
|
HB2
|
E:TYR104
|
4.2
|
39.0
|
1.0
|
|
H
|
E:TYR104
|
4.2
|
40.4
|
1.0
|
|
H
|
E:ALA87
|
4.2
|
39.9
|
1.0
|
|
HB2
|
E:HIS84
|
4.2
|
48.0
|
1.0
|
|
CB
|
E:TYR104
|
4.3
|
40.5
|
1.0
|
|
H
|
E:HIS84
|
4.3
|
46.6
|
1.0
|
|
HH
|
E:TYR109
|
4.3
|
0.5
|
0.0
|
|
H
|
E:TRP107
|
4.4
|
45.1
|
1.0
|
|
ND1
|
E:HIS84
|
4.4
|
49.1
|
1.0
|
|
CB
|
E:ALA87
|
4.4
|
43.2
|
1.0
|
|
ND1
|
E:HIS105
|
4.5
|
37.8
|
1.0
|
|
N
|
E:HIS105
|
4.5
|
40.4
|
1.0
|
|
CA
|
E:CYS102
|
4.5
|
45.9
|
1.0
|
|
HB2
|
E:ALA87
|
4.6
|
42.8
|
1.0
|
|
CA
|
E:CYS82
|
4.6
|
42.4
|
1.0
|
|
CG
|
E:HIS84
|
4.7
|
47.5
|
1.0
|
|
H
|
E:GLY86
|
4.8
|
41.8
|
1.0
|
|
HB2
|
E:HIS105
|
4.8
|
41.5
|
1.0
|
|
CB
|
E:TRP107
|
4.8
|
44.6
|
1.0
|
|
HD2
|
E:TYR104
|
4.8
|
38.6
|
1.0
|
|
N
|
E:ARG85
|
4.8
|
46.0
|
1.0
|
|
HE1
|
E:TYR109
|
4.9
|
44.3
|
1.0
|
|
N
|
E:TYR104
|
4.9
|
40.6
|
1.0
|
|
HA
|
E:CYS102
|
4.9
|
45.3
|
1.0
|
|
N
|
E:ALA87
|
4.9
|
38.2
|
1.0
|
|
CG
|
E:TRP107
|
4.9
|
44.6
|
1.0
|
|
HA
|
E:CYS82
|
4.9
|
42.1
|
1.0
|
|
C
|
E:CYS102
|
5.0
|
46.6
|
1.0
|
|
Iron binding site 5 out
of 8 in 7q05
Go back to
Iron Binding Sites List in 7q05
Iron binding site 5 out
of 8 in the Crystal Structure of Tpado in Complex with Tpa
 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 Tpado in Complex with Tpa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe501
b:43.1
occ:1.00
|
FE2
|
E:FES501
|
0.0
|
43.1
|
1.0
|
|
HD1
|
E:HIS84
|
1.3
|
0.5
|
0.0
|
|
HD1
|
E:HIS105
|
1.4
|
0.5
|
0.0
|
|
S1
|
E:FES501
|
2.1
|
43.2
|
1.0
|
|
ND1
|
E:HIS84
|
2.1
|
49.1
|
1.0
|
|
ND1
|
E:HIS105
|
2.1
|
37.8
|
1.0
|
|
S2
|
E:FES501
|
2.2
|
39.1
|
1.0
|
|
FE1
|
E:FES501
|
2.7
|
41.5
|
1.0
|
|
HB3
|
E:HIS84
|
2.8
|
46.9
|
1.0
|
|
HB3
|
E:TYR104
|
3.0
|
40.1
|
1.0
|
|
CE1
|
E:HIS105
|
3.0
|
38.1
|
1.0
|
|
HB2
|
E:HIS105
|
3.0
|
41.5
|
1.0
|
|
CG
|
E:HIS84
|
3.1
|
47.5
|
1.0
|
|
CE1
|
E:HIS84
|
3.1
|
51.4
|
1.0
|
|
CG
|
E:HIS105
|
3.1
|
40.2
|
1.0
|
|
HE1
|
E:HIS105
|
3.2
|
37.4
|
1.0
|
|
H
|
E:HIS105
|
3.2
|
40.3
|
1.0
|
|
HE1
|
E:HIS84
|
3.3
|
50.2
|
1.0
|
|
CB
|
E:HIS84
|
3.4
|
48.1
|
1.0
|
|
CB
|
E:HIS105
|
3.5
|
41.9
|
1.0
|
|
HG
|
E:CYS82
|
3.5
|
0.5
|
0.0
|
|
H
|
E:ARG85
|
3.6
|
45.6
|
1.0
|
|
HG
|
E:CYS102
|
3.7
|
0.5
|
0.0
|
|
N
|
E:HIS105
|
3.7
|
40.4
|
1.0
|
|
HB2
|
E:HIS84
|
3.7
|
48.0
|
1.0
|
|
HB2
|
E:ARG85
|
3.8
|
48.8
|
1.0
|
|
CB
|
E:TYR104
|
3.9
|
40.5
|
1.0
|
|
NE2
|
E:HIS105
|
4.1
|
38.6
|
1.0
|
|
CA
|
E:HIS105
|
4.1
|
42.0
|
1.0
|
|
CD2
|
E:HIS105
|
4.2
|
40.2
|
1.0
|
|
CD2
|
E:HIS84
|
4.2
|
48.1
|
1.0
|
|
NE2
|
E:HIS84
|
4.3
|
48.1
|
1.0
|
|
SG
|
E:CYS82
|
4.3
|
43.5
|
1.0
|
|
N
|
E:ARG85
|
4.3
|
46.0
|
1.0
|
|
HB3
|
E:HIS105
|
4.4
|
42.7
|
1.0
|
|
HD2
|
E:TYR104
|
4.4
|
38.6
|
1.0
|
|
HB2
|
E:TYR104
|
4.4
|
39.0
|
1.0
|
|
CG
|
E:TYR104
|
4.4
|
38.7
|
1.0
|
|
HG3
|
E:ARG85
|
4.4
|
52.6
|
1.0
|
|
SG
|
E:CYS102
|
4.4
|
44.2
|
1.0
|
|
C
|
E:TYR104
|
4.5
|
41.6
|
1.0
|
|
CD2
|
E:TYR104
|
4.6
|
39.0
|
1.0
|
|
CA
|
E:HIS84
|
4.7
|
47.8
|
1.0
|
|
CB
|
E:ARG85
|
4.7
|
49.7
|
1.0
|
|
CA
|
E:TYR104
|
4.8
|
40.4
|
1.0
|
|
CD1
|
E:TRP107
|
4.8
|
46.6
|
1.0
|
|
NE1
|
E:TRP107
|
4.9
|
47.5
|
1.0
|
|
C
|
E:HIS105
|
4.9
|
43.3
|
1.0
|
|
HE2
|
E:HIS105
|
4.9
|
0.5
|
0.0
|
|
HB3
|
E:CYS102
|
4.9
|
46.4
|
1.0
|
|
H
|
E:TRP107
|
5.0
|
45.1
|
1.0
|
|
HA
|
E:HIS105
|
5.0
|
42.5
|
1.0
|
|
C
|
E:HIS84
|
5.0
|
46.7
|
1.0
|
|
HD1
|
E:TRP107
|
5.0
|
46.5
|
1.0
|
|
H
|
E:HIS84
|
5.0
|
46.6
|
1.0
|
|
Iron binding site 6 out
of 8 in 7q05
Go back to
Iron Binding Sites List in 7q05
Iron binding site 6 out
of 8 in the Crystal Structure of Tpado in Complex with Tpa
 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 Tpado in Complex with Tpa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe501
b:36.2
occ:1.00
|
FE1
|
F:FES501
|
0.0
|
36.2
|
1.0
|
|
HG
|
F:CYS82
|
1.2
|
0.5
|
0.0
|
|
HG
|
F:CYS102
|
1.3
|
0.5
|
0.0
|
|
S1
|
F:FES501
|
2.1
|
35.1
|
1.0
|
|
S2
|
F:FES501
|
2.2
|
35.4
|
1.0
|
|
SG
|
F:CYS102
|
2.3
|
37.1
|
1.0
|
|
SG
|
F:CYS82
|
2.4
|
36.3
|
1.0
|
|
FE2
|
F:FES501
|
2.6
|
35.4
|
1.0
|
|
HB3
|
F:CYS102
|
2.9
|
40.0
|
1.0
|
|
HB3
|
F:CYS82
|
3.1
|
34.5
|
1.0
|
|
CB
|
F:CYS102
|
3.1
|
40.1
|
1.0
|
|
CB
|
F:CYS82
|
3.2
|
34.6
|
1.0
|
|
HB3
|
F:HIS84
|
3.2
|
37.4
|
1.0
|
|
HB2
|
F:CYS82
|
3.2
|
34.3
|
1.0
|
|
HB2
|
F:CYS102
|
3.4
|
39.4
|
1.0
|
|
HB3
|
F:TYR104
|
3.4
|
36.1
|
1.0
|
|
HB3
|
F:ALA87
|
3.5
|
33.5
|
1.0
|
|
HD1
|
F:HIS84
|
3.6
|
0.5
|
0.0
|
|
H
|
F:HIS105
|
3.6
|
37.4
|
1.0
|
|
HD1
|
F:HIS105
|
3.6
|
0.5
|
0.0
|
|
HB2
|
F:TRP107
|
3.9
|
34.1
|
1.0
|
|
H
|
F:ARG85
|
4.0
|
36.3
|
1.0
|
|
CB
|
F:HIS84
|
4.1
|
37.8
|
1.0
|
|
H
|
F:TYR104
|
4.1
|
37.1
|
1.0
|
|
HB2
|
F:TYR104
|
4.2
|
35.4
|
1.0
|
|
H
|
F:ALA87
|
4.2
|
33.1
|
1.0
|
|
CB
|
F:TYR104
|
4.2
|
36.2
|
1.0
|
|
H
|
F:TRP107
|
4.2
|
34.9
|
1.0
|
|
HB2
|
F:HIS84
|
4.3
|
38.3
|
1.0
|
|
ND1
|
F:HIS84
|
4.3
|
37.9
|
1.0
|
|
H
|
F:HIS84
|
4.3
|
39.0
|
1.0
|
|
HH
|
F:TYR109
|
4.4
|
0.5
|
0.0
|
|
CB
|
F:ALA87
|
4.4
|
33.0
|
1.0
|
|
N
|
F:HIS105
|
4.5
|
37.7
|
1.0
|
|
ND1
|
F:HIS105
|
4.5
|
37.0
|
1.0
|
|
CA
|
F:CYS102
|
4.5
|
39.6
|
1.0
|
|
CA
|
F:CYS82
|
4.6
|
34.2
|
1.0
|
|
HB2
|
F:ALA87
|
4.6
|
33.3
|
1.0
|
|
H
|
F:GLY86
|
4.6
|
33.8
|
1.0
|
|
CG
|
F:HIS84
|
4.7
|
38.1
|
1.0
|
|
HB2
|
F:HIS105
|
4.7
|
37.5
|
1.0
|
|
CB
|
F:TRP107
|
4.8
|
34.5
|
1.0
|
|
N
|
F:TYR104
|
4.8
|
37.3
|
1.0
|
|
HD2
|
F:TYR104
|
4.8
|
32.7
|
1.0
|
|
C
|
F:CYS102
|
4.8
|
39.3
|
1.0
|
|
HA
|
F:CYS102
|
4.9
|
38.5
|
1.0
|
|
HE1
|
F:TYR109
|
4.9
|
38.0
|
1.0
|
|
N
|
F:ARG85
|
4.9
|
35.7
|
1.0
|
|
N
|
F:ALA87
|
4.9
|
32.3
|
1.0
|
|
CA
|
F:TYR104
|
5.0
|
37.3
|
1.0
|
|
CG
|
F:TRP107
|
5.0
|
34.6
|
1.0
|
|
HA
|
F:CYS82
|
5.0
|
34.9
|
1.0
|
|
O
|
F:CYS102
|
5.0
|
37.7
|
1.0
|
|
HB1
|
F:ALA87
|
5.0
|
32.9
|
1.0
|
|
Iron binding site 7 out
of 8 in 7q05
Go back to
Iron Binding Sites List in 7q05
Iron binding site 7 out
of 8 in the Crystal Structure of Tpado in Complex with Tpa
 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 Tpado in Complex with Tpa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe501
b:35.4
occ:1.00
|
FE2
|
F:FES501
|
0.0
|
35.4
|
1.0
|
|
HD1
|
F:HIS84
|
1.2
|
0.5
|
0.0
|
|
HD1
|
F:HIS105
|
1.4
|
0.5
|
0.0
|
|
ND1
|
F:HIS84
|
2.1
|
37.9
|
1.0
|
|
S2
|
F:FES501
|
2.1
|
35.4
|
1.0
|
|
ND1
|
F:HIS105
|
2.2
|
37.0
|
1.0
|
|
S1
|
F:FES501
|
2.2
|
35.1
|
1.0
|
|
FE1
|
F:FES501
|
2.6
|
36.2
|
1.0
|
|
HB3
|
F:HIS84
|
2.8
|
37.4
|
1.0
|
|
HB2
|
F:HIS105
|
3.0
|
37.5
|
1.0
|
|
HB3
|
F:TYR104
|
3.0
|
36.1
|
1.0
|
|
CE1
|
F:HIS105
|
3.0
|
35.0
|
1.0
|
|
CE1
|
F:HIS84
|
3.0
|
41.1
|
1.0
|
|
CG
|
F:HIS84
|
3.1
|
38.1
|
1.0
|
|
CG
|
F:HIS105
|
3.2
|
36.8
|
1.0
|
|
H
|
F:HIS105
|
3.2
|
37.4
|
1.0
|
|
HE1
|
F:HIS105
|
3.2
|
34.7
|
1.0
|
|
HE1
|
F:HIS84
|
3.2
|
40.3
|
1.0
|
|
CB
|
F:HIS84
|
3.4
|
37.8
|
1.0
|
|
CB
|
F:HIS105
|
3.5
|
37.4
|
1.0
|
|
HG
|
F:CYS82
|
3.5
|
0.5
|
0.0
|
|
H
|
F:ARG85
|
3.6
|
36.3
|
1.0
|
|
N
|
F:HIS105
|
3.7
|
37.7
|
1.0
|
|
HB2
|
F:HIS84
|
3.8
|
38.3
|
1.0
|
|
HG
|
F:CYS102
|
3.8
|
0.5
|
0.0
|
|
HB2
|
F:ARG85
|
3.9
|
37.6
|
1.0
|
|
CB
|
F:TYR104
|
4.0
|
36.2
|
1.0
|
|
NE2
|
F:HIS105
|
4.1
|
34.0
|
1.0
|
|
CA
|
F:HIS105
|
4.1
|
37.5
|
1.0
|
|
NE2
|
F:HIS84
|
4.2
|
41.8
|
1.0
|
|
CD2
|
F:HIS84
|
4.2
|
41.1
|
1.0
|
|
CD2
|
F:HIS105
|
4.2
|
35.1
|
1.0
|
|
SG
|
F:CYS82
|
4.3
|
36.3
|
1.0
|
|
HB3
|
F:HIS105
|
4.3
|
38.1
|
1.0
|
|
N
|
F:ARG85
|
4.4
|
35.7
|
1.0
|
|
HD2
|
F:TYR104
|
4.4
|
32.7
|
1.0
|
|
CG
|
F:TYR104
|
4.4
|
34.0
|
1.0
|
|
C
|
F:TYR104
|
4.5
|
38.0
|
1.0
|
|
HB2
|
F:TYR104
|
4.5
|
35.4
|
1.0
|
|
HG3
|
F:ARG85
|
4.5
|
40.8
|
1.0
|
|
SG
|
F:CYS102
|
4.5
|
37.1
|
1.0
|
|
CD2
|
F:TYR104
|
4.6
|
32.6
|
1.0
|
|
CA
|
F:HIS84
|
4.7
|
39.0
|
1.0
|
|
CB
|
F:ARG85
|
4.7
|
37.4
|
1.0
|
|
CA
|
F:TYR104
|
4.8
|
37.3
|
1.0
|
|
C
|
F:HIS105
|
4.8
|
35.4
|
1.0
|
|
CD1
|
F:TRP107
|
4.8
|
35.6
|
1.0
|
|
HD3
|
F:ARG85
|
4.9
|
43.7
|
1.0
|
|
NE1
|
F:TRP107
|
4.9
|
36.5
|
1.0
|
|
HE2
|
F:HIS105
|
4.9
|
0.5
|
0.0
|
|
HB3
|
F:CYS102
|
4.9
|
40.0
|
1.0
|
|
H
|
F:TRP107
|
5.0
|
34.9
|
1.0
|
|
HA
|
F:HIS105
|
5.0
|
37.3
|
1.0
|
|
HE2
|
F:HIS84
|
5.0
|
0.5
|
0.0
|
|
HD1
|
F:TRP107
|
5.0
|
35.5
|
1.0
|
|
H
|
F:TYR104
|
5.0
|
37.1
|
1.0
|
|
Iron binding site 8 out
of 8 in 7q05
Go back to
Iron Binding Sites List in 7q05
Iron binding site 8 out
of 8 in the Crystal Structure of Tpado in Complex with Tpa
 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 Tpado in Complex with Tpa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe505
b:114.7
occ:1.00
|
HE2
|
F:HIS215
|
1.6
|
0.5
|
0.0
|
|
NE2
|
F:HIS215
|
2.4
|
106.3
|
1.0
|
|
HE2
|
F:HIS210
|
2.7
|
0.5
|
0.0
|
|
HE1
|
F:HIS210
|
2.7
|
64.4
|
1.0
|
|
OD1
|
F:ASP356
|
2.9
|
53.3
|
1.0
|
|
HD2
|
F:HIS215
|
3.0
|
104.4
|
1.0
|
|
OD2
|
F:ASP356
|
3.0
|
56.8
|
1.0
|
|
CD2
|
F:HIS215
|
3.0
|
104.1
|
1.0
|
|
NE2
|
F:HIS210
|
3.1
|
63.8
|
1.0
|
|
CE1
|
F:HIS210
|
3.1
|
64.2
|
1.0
|
|
CG
|
F:ASP356
|
3.3
|
50.8
|
1.0
|
|
C07
|
F:UB7504
|
3.4
|
87.1
|
1.0
|
|
C06
|
F:UB7504
|
3.4
|
91.0
|
1.0
|
|
HD21
|
F:ASN204
|
3.5
|
45.5
|
1.0
|
|
CE1
|
F:HIS215
|
3.6
|
97.6
|
1.0
|
|
O08
|
F:UB7504
|
3.6
|
69.4
|
1.0
|
|
C01
|
F:UB7504
|
3.6
|
90.3
|
1.0
|
|
O09
|
F:UB7504
|
3.8
|
95.6
|
1.0
|
|
C05
|
F:UB7504
|
3.8
|
86.7
|
1.0
|
|
H011
|
F:UB7504
|
3.9
|
89.6
|
1.0
|
|
HE1
|
F:HIS215
|
3.9
|
99.1
|
1.0
|
|
HB2
|
F:ALA211
|
4.0
|
67.3
|
1.0
|
|
HG21
|
F:ILE352
|
4.1
|
69.1
|
1.0
|
|
HA
|
F:ALA211
|
4.2
|
69.7
|
1.0
|
|
H051
|
F:UB7504
|
4.2
|
87.7
|
1.0
|
|
HG23
|
F:ILE352
|
4.2
|
70.3
|
1.0
|
|
H1
|
F:UB7504
|
4.2
|
91.3
|
1.0
|
|
C02
|
F:UB7504
|
4.2
|
87.8
|
1.0
|
|
CG
|
F:HIS215
|
4.3
|
102.6
|
1.0
|
|
CD2
|
F:HIS210
|
4.3
|
59.3
|
1.0
|
|
HD23
|
F:LEU214
|
4.3
|
88.0
|
1.0
|
|
ND1
|
F:HIS210
|
4.3
|
70.9
|
1.0
|
|
ND2
|
F:ASN204
|
4.4
|
45.5
|
1.0
|
|
HA
|
F:SER353
|
4.4
|
54.9
|
1.0
|
|
C04
|
F:UB7504
|
4.4
|
92.1
|
1.0
|
|
ND1
|
F:HIS215
|
4.5
|
101.3
|
1.0
|
|
CG2
|
F:ILE352
|
4.6
|
71.1
|
1.0
|
|
C03
|
F:UB7504
|
4.6
|
85.1
|
1.0
|
|
CB
|
F:ALA211
|
4.7
|
67.1
|
1.0
|
|
HD22
|
F:ASN204
|
4.7
|
44.4
|
1.0
|
|
CB
|
F:ASP356
|
4.8
|
45.8
|
1.0
|
|
HB1
|
F:ALA211
|
4.8
|
68.2
|
1.0
|
|
HG22
|
F:ILE352
|
4.8
|
70.2
|
1.0
|
|
H021
|
F:UB7504
|
4.8
|
88.4
|
1.0
|
|
HD2
|
F:HIS210
|
4.9
|
62.1
|
1.0
|
|
HD1
|
F:HIS210
|
4.9
|
0.5
|
0.0
|
|
O
|
F:ILE352
|
4.9
|
63.5
|
1.0
|
|
CA
|
F:ALA211
|
4.9
|
71.3
|
1.0
|
|
CG
|
F:HIS210
|
5.0
|
61.7
|
1.0
|
|
Reference:
W.M.Kincannon,
M.Zahn,
R.Clare,
J.Lusty Beech,
A.Romberg,
J.Larson,
B.Bothner,
G.T.Beckham,
J.E.Mcgeehan,
J.L.Dubois.
Biochemical and Structural Characterization of An Aromatic Ring-Hydroxylating Dioxygenase For Terephthalic Acid Catabolism. Proc.Natl.Acad.Sci.Usa V. 119 26119 2022.
ISSN: ESSN 1091-6490
PubMed: 35312352
DOI: 10.1073/PNAS.2121426119
Page generated: Wed Apr 5 03:57:35 2023
|
