Iron in PDB 4bf4: Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
Protein crystallography data
The structure of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group, PDB code: 4bf4
was solved by
L.M.Podust,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
119.84 /
2.70
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
110.273,
130.113,
134.898,
66.48,
70.25,
72.23
|
|
R / Rfree (%)
|
19.59 /
27.903
|
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Iron atom in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
(pdb code 4bf4). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the
Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group, PDB code: 4bf4:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 1 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1407
b:22.5
occ:1.00
|
FE
|
A:HEM1407
|
0.0
|
22.5
|
1.0
|
|
NC
|
A:HEM1407
|
2.0
|
21.9
|
1.0
|
|
NA
|
A:HEM1407
|
2.0
|
21.7
|
1.0
|
|
NB
|
A:HEM1407
|
2.0
|
22.8
|
1.0
|
|
ND
|
A:HEM1407
|
2.1
|
20.7
|
1.0
|
|
SG
|
A:CYS354
|
2.1
|
21.0
|
1.0
|
|
C1C
|
A:HEM1407
|
3.0
|
22.1
|
1.0
|
|
C1A
|
A:HEM1407
|
3.0
|
21.0
|
1.0
|
|
C4C
|
A:HEM1407
|
3.0
|
22.1
|
1.0
|
|
C4A
|
A:HEM1407
|
3.1
|
21.6
|
1.0
|
|
C4B
|
A:HEM1407
|
3.1
|
23.1
|
1.0
|
|
C1B
|
A:HEM1407
|
3.1
|
23.1
|
1.0
|
|
C4D
|
A:HEM1407
|
3.1
|
19.8
|
1.0
|
|
C1D
|
A:HEM1407
|
3.1
|
19.8
|
1.0
|
|
CB
|
A:CYS354
|
3.2
|
20.2
|
1.0
|
|
CHC
|
A:HEM1407
|
3.4
|
22.2
|
1.0
|
|
CHA
|
A:HEM1407
|
3.4
|
20.7
|
1.0
|
|
CHD
|
A:HEM1407
|
3.4
|
20.6
|
1.0
|
|
CHB
|
A:HEM1407
|
3.4
|
22.7
|
1.0
|
|
O
|
A:HOH2035
|
4.0
|
41.6
|
1.0
|
|
CA
|
A:CYS354
|
4.1
|
19.7
|
1.0
|
|
C2C
|
A:HEM1407
|
4.2
|
22.4
|
1.0
|
|
C3C
|
A:HEM1407
|
4.3
|
23.1
|
1.0
|
|
C2A
|
A:HEM1407
|
4.3
|
20.1
|
1.0
|
|
C3A
|
A:HEM1407
|
4.3
|
20.1
|
1.0
|
|
C3B
|
A:HEM1407
|
4.3
|
24.5
|
1.0
|
|
C2B
|
A:HEM1407
|
4.3
|
23.8
|
1.0
|
|
C2D
|
A:HEM1407
|
4.3
|
18.1
|
1.0
|
|
C3D
|
A:HEM1407
|
4.3
|
18.4
|
1.0
|
|
O
|
A:ALA243
|
4.5
|
35.6
|
1.0
|
|
N
|
A:ILE355
|
4.8
|
20.3
|
1.0
|
|
OG1
|
A:THR247
|
4.8
|
32.3
|
1.0
|
|
CB
|
A:ALA243
|
4.8
|
34.1
|
1.0
|
|
C
|
A:CYS354
|
4.8
|
20.1
|
1.0
|
|
Iron binding site 2 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 2 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1407
b:27.3
occ:1.00
|
FE
|
B:HEM1407
|
0.0
|
27.3
|
1.0
|
|
NA
|
B:HEM1407
|
2.0
|
26.6
|
1.0
|
|
NB
|
B:HEM1407
|
2.0
|
26.8
|
1.0
|
|
NC
|
B:HEM1407
|
2.1
|
26.0
|
1.0
|
|
ND
|
B:HEM1407
|
2.1
|
25.8
|
1.0
|
|
SG
|
B:CYS354
|
2.2
|
22.0
|
1.0
|
|
C4A
|
B:HEM1407
|
3.0
|
26.8
|
1.0
|
|
C1B
|
B:HEM1407
|
3.0
|
27.0
|
1.0
|
|
C1A
|
B:HEM1407
|
3.0
|
26.8
|
1.0
|
|
C4C
|
B:HEM1407
|
3.0
|
26.6
|
1.0
|
|
C1D
|
B:HEM1407
|
3.1
|
25.5
|
1.0
|
|
C4B
|
B:HEM1407
|
3.1
|
26.1
|
1.0
|
|
C1C
|
B:HEM1407
|
3.1
|
25.6
|
1.0
|
|
C4D
|
B:HEM1407
|
3.2
|
25.6
|
1.0
|
|
CHB
|
B:HEM1407
|
3.3
|
27.4
|
1.0
|
|
CHD
|
B:HEM1407
|
3.4
|
26.3
|
1.0
|
|
CB
|
B:CYS354
|
3.4
|
21.3
|
1.0
|
|
CHA
|
B:HEM1407
|
3.5
|
26.7
|
1.0
|
|
CHC
|
B:HEM1407
|
3.5
|
25.1
|
1.0
|
|
CA
|
B:CYS354
|
4.1
|
21.4
|
1.0
|
|
C3A
|
B:HEM1407
|
4.2
|
27.3
|
1.0
|
|
C2A
|
B:HEM1407
|
4.2
|
26.6
|
1.0
|
|
C2B
|
B:HEM1407
|
4.3
|
26.1
|
1.0
|
|
C3C
|
B:HEM1407
|
4.3
|
27.4
|
1.0
|
|
C3B
|
B:HEM1407
|
4.3
|
25.7
|
1.0
|
|
C2C
|
B:HEM1407
|
4.3
|
26.2
|
1.0
|
|
C2D
|
B:HEM1407
|
4.4
|
24.6
|
1.0
|
|
C3D
|
B:HEM1407
|
4.4
|
24.2
|
1.0
|
|
O
|
B:ALA243
|
4.4
|
40.8
|
1.0
|
|
N
|
B:ILE355
|
4.8
|
21.1
|
1.0
|
|
O
|
B:HOH2032
|
4.9
|
20.7
|
1.0
|
|
C
|
B:CYS354
|
4.9
|
21.3
|
1.0
|
|
N
|
B:GLY356
|
4.9
|
20.2
|
1.0
|
|
OG1
|
B:THR247
|
4.9
|
34.2
|
1.0
|
|
Iron binding site 3 out
of 16 in 4bf4
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Iron Binding Sites List in 4bf4
Iron binding site 3 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1407
b:15.9
occ:1.00
|
FE
|
C:HEM1407
|
0.0
|
15.9
|
1.0
|
|
NB
|
C:HEM1407
|
2.0
|
14.4
|
1.0
|
|
NC
|
C:HEM1407
|
2.0
|
15.4
|
1.0
|
|
NA
|
C:HEM1407
|
2.0
|
15.3
|
1.0
|
|
ND
|
C:HEM1407
|
2.0
|
13.9
|
1.0
|
|
SG
|
C:CYS354
|
2.3
|
19.9
|
1.0
|
|
C1B
|
C:HEM1407
|
3.0
|
14.2
|
1.0
|
|
C4C
|
C:HEM1407
|
3.0
|
14.2
|
1.0
|
|
C1D
|
C:HEM1407
|
3.0
|
12.6
|
1.0
|
|
C4B
|
C:HEM1407
|
3.0
|
14.1
|
1.0
|
|
C4A
|
C:HEM1407
|
3.1
|
15.5
|
1.0
|
|
C4D
|
C:HEM1407
|
3.1
|
13.6
|
1.0
|
|
C1C
|
C:HEM1407
|
3.1
|
16.3
|
1.0
|
|
C1A
|
C:HEM1407
|
3.1
|
15.4
|
1.0
|
|
CHD
|
C:HEM1407
|
3.4
|
12.9
|
1.0
|
|
CHB
|
C:HEM1407
|
3.4
|
14.0
|
1.0
|
|
CB
|
C:CYS354
|
3.4
|
19.2
|
1.0
|
|
CHC
|
C:HEM1407
|
3.4
|
15.0
|
1.0
|
|
CHA
|
C:HEM1407
|
3.4
|
14.8
|
1.0
|
|
C3
|
C:17Q1410
|
3.5
|
54.1
|
1.0
|
|
CA
|
C:CYS354
|
4.2
|
18.9
|
1.0
|
|
C2B
|
C:HEM1407
|
4.2
|
14.7
|
1.0
|
|
C3C
|
C:HEM1407
|
4.2
|
14.6
|
1.0
|
|
C3B
|
C:HEM1407
|
4.2
|
14.7
|
1.0
|
|
C2D
|
C:HEM1407
|
4.3
|
12.2
|
1.0
|
|
C2C
|
C:HEM1407
|
4.3
|
15.7
|
1.0
|
|
C3D
|
C:HEM1407
|
4.3
|
13.1
|
1.0
|
|
C3A
|
C:HEM1407
|
4.3
|
15.6
|
1.0
|
|
C2A
|
C:HEM1407
|
4.3
|
16.1
|
1.0
|
|
C2
|
C:17Q1410
|
4.4
|
53.8
|
1.0
|
|
C4
|
C:17Q1410
|
4.5
|
54.6
|
1.0
|
|
N
|
C:GLY356
|
4.6
|
17.7
|
1.0
|
|
O
|
C:ALA243
|
4.8
|
34.5
|
1.0
|
|
CA
|
C:GLY356
|
4.8
|
19.0
|
1.0
|
|
C
|
C:CYS354
|
4.9
|
19.0
|
1.0
|
|
N
|
C:ILE355
|
4.9
|
18.3
|
1.0
|
|
Iron binding site 4 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 4 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe1407
b:20.4
occ:1.00
|
FE
|
D:HEM1407
|
0.0
|
20.4
|
1.0
|
|
NA
|
D:HEM1407
|
1.9
|
18.9
|
1.0
|
|
NC
|
D:HEM1407
|
2.0
|
20.1
|
1.0
|
|
NB
|
D:HEM1407
|
2.0
|
18.8
|
1.0
|
|
SG
|
D:CYS354
|
2.1
|
17.1
|
1.0
|
|
ND
|
D:HEM1407
|
2.1
|
19.0
|
1.0
|
|
C1A
|
D:HEM1407
|
2.9
|
18.6
|
1.0
|
|
C4A
|
D:HEM1407
|
3.0
|
18.5
|
1.0
|
|
C4C
|
D:HEM1407
|
3.0
|
20.5
|
1.0
|
|
C1B
|
D:HEM1407
|
3.0
|
18.5
|
1.0
|
|
C4B
|
D:HEM1407
|
3.1
|
18.7
|
1.0
|
|
C1C
|
D:HEM1407
|
3.1
|
20.1
|
1.0
|
|
C4D
|
D:HEM1407
|
3.1
|
18.2
|
1.0
|
|
C1D
|
D:HEM1407
|
3.1
|
18.9
|
1.0
|
|
CHB
|
D:HEM1407
|
3.3
|
19.1
|
1.0
|
|
CHA
|
D:HEM1407
|
3.4
|
19.1
|
1.0
|
|
CHD
|
D:HEM1407
|
3.4
|
19.6
|
1.0
|
|
CHC
|
D:HEM1407
|
3.4
|
18.6
|
1.0
|
|
CB
|
D:CYS354
|
3.4
|
18.7
|
1.0
|
|
CA
|
D:CYS354
|
4.1
|
18.9
|
1.0
|
|
C2A
|
D:HEM1407
|
4.2
|
18.9
|
1.0
|
|
C3A
|
D:HEM1407
|
4.2
|
18.2
|
1.0
|
|
C3C
|
D:HEM1407
|
4.2
|
21.7
|
1.0
|
|
C2C
|
D:HEM1407
|
4.3
|
21.1
|
1.0
|
|
C3B
|
D:HEM1407
|
4.3
|
19.2
|
1.0
|
|
C2B
|
D:HEM1407
|
4.3
|
18.6
|
1.0
|
|
C2D
|
D:HEM1407
|
4.4
|
17.5
|
1.0
|
|
C3D
|
D:HEM1407
|
4.4
|
16.4
|
1.0
|
|
CB
|
D:ALA243
|
4.7
|
37.5
|
1.0
|
|
N
|
D:ILE355
|
4.9
|
19.9
|
1.0
|
|
C
|
D:CYS354
|
5.0
|
19.5
|
1.0
|
|
N
|
D:GLY356
|
5.0
|
20.6
|
1.0
|
|
Iron binding site 5 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 5 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe1407
b:19.9
occ:1.00
|
FE
|
E:HEM1407
|
0.0
|
19.9
|
1.0
|
|
NA
|
E:HEM1407
|
2.0
|
18.9
|
1.0
|
|
NC
|
E:HEM1407
|
2.0
|
18.8
|
1.0
|
|
NB
|
E:HEM1407
|
2.0
|
19.1
|
1.0
|
|
ND
|
E:HEM1407
|
2.1
|
18.7
|
1.0
|
|
SG
|
E:CYS354
|
2.4
|
16.4
|
1.0
|
|
C4C
|
E:HEM1407
|
3.0
|
19.1
|
1.0
|
|
C4A
|
E:HEM1407
|
3.0
|
19.3
|
1.0
|
|
C1A
|
E:HEM1407
|
3.0
|
19.4
|
1.0
|
|
C1B
|
E:HEM1407
|
3.0
|
17.9
|
1.0
|
|
C1C
|
E:HEM1407
|
3.0
|
19.8
|
1.0
|
|
C4B
|
E:HEM1407
|
3.1
|
19.0
|
1.0
|
|
C4D
|
E:HEM1407
|
3.1
|
18.6
|
1.0
|
|
C1D
|
E:HEM1407
|
3.1
|
18.1
|
1.0
|
|
CHB
|
E:HEM1407
|
3.4
|
18.7
|
1.0
|
|
CHA
|
E:HEM1407
|
3.4
|
19.7
|
1.0
|
|
CHD
|
E:HEM1407
|
3.4
|
18.3
|
1.0
|
|
CHC
|
E:HEM1407
|
3.5
|
18.7
|
1.0
|
|
CB
|
E:CYS354
|
3.5
|
16.4
|
1.0
|
|
O
|
E:ALA243
|
4.1
|
34.6
|
1.0
|
|
C3C
|
E:HEM1407
|
4.2
|
20.7
|
1.0
|
|
C3A
|
E:HEM1407
|
4.2
|
20.0
|
1.0
|
|
CA
|
E:CYS354
|
4.2
|
16.7
|
1.0
|
|
C2A
|
E:HEM1407
|
4.2
|
20.2
|
1.0
|
|
C2B
|
E:HEM1407
|
4.3
|
17.1
|
1.0
|
|
C3B
|
E:HEM1407
|
4.3
|
17.9
|
1.0
|
|
C2C
|
E:HEM1407
|
4.3
|
20.6
|
1.0
|
|
C3D
|
E:HEM1407
|
4.3
|
17.1
|
1.0
|
|
C2D
|
E:HEM1407
|
4.4
|
16.6
|
1.0
|
|
OG1
|
E:THR247
|
4.6
|
31.8
|
1.0
|
|
N
|
E:GLY356
|
4.8
|
17.4
|
1.0
|
|
C
|
E:CYS354
|
4.9
|
17.4
|
1.0
|
|
CD1
|
E:PHE347
|
4.9
|
14.0
|
1.0
|
|
Iron binding site 6 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 6 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe1407
b:23.4
occ:1.00
|
FE
|
F:HEM1407
|
0.0
|
23.4
|
1.0
|
|
NB
|
F:HEM1407
|
2.0
|
23.6
|
1.0
|
|
NA
|
F:HEM1407
|
2.0
|
22.5
|
1.0
|
|
NC
|
F:HEM1407
|
2.0
|
22.0
|
1.0
|
|
ND
|
F:HEM1407
|
2.1
|
21.8
|
1.0
|
|
SG
|
F:CYS354
|
2.2
|
23.5
|
1.0
|
|
C4B
|
F:HEM1407
|
3.0
|
23.1
|
1.0
|
|
C1A
|
F:HEM1407
|
3.0
|
22.4
|
1.0
|
|
C4D
|
F:HEM1407
|
3.0
|
22.1
|
1.0
|
|
C1C
|
F:HEM1407
|
3.0
|
21.5
|
1.0
|
|
C4A
|
F:HEM1407
|
3.1
|
22.9
|
1.0
|
|
C1B
|
F:HEM1407
|
3.1
|
23.5
|
1.0
|
|
C4C
|
F:HEM1407
|
3.1
|
21.4
|
1.0
|
|
C1D
|
F:HEM1407
|
3.2
|
21.4
|
1.0
|
|
CHA
|
F:HEM1407
|
3.3
|
23.0
|
1.0
|
|
CHC
|
F:HEM1407
|
3.4
|
22.2
|
1.0
|
|
CHB
|
F:HEM1407
|
3.4
|
23.4
|
1.0
|
|
CHD
|
F:HEM1407
|
3.5
|
20.5
|
1.0
|
|
CB
|
F:CYS354
|
3.5
|
23.1
|
1.0
|
|
CA
|
F:CYS354
|
4.1
|
23.0
|
1.0
|
|
C3B
|
F:HEM1407
|
4.2
|
22.9
|
1.0
|
|
C2A
|
F:HEM1407
|
4.3
|
22.0
|
1.0
|
|
C2C
|
F:HEM1407
|
4.3
|
20.4
|
1.0
|
|
C2B
|
F:HEM1407
|
4.3
|
23.1
|
1.0
|
|
C3A
|
F:HEM1407
|
4.3
|
22.7
|
1.0
|
|
C3D
|
F:HEM1407
|
4.3
|
21.5
|
1.0
|
|
C3C
|
F:HEM1407
|
4.3
|
21.1
|
1.0
|
|
C2D
|
F:HEM1407
|
4.4
|
21.4
|
1.0
|
|
CB
|
F:ALA243
|
4.6
|
38.0
|
1.0
|
|
OG1
|
F:THR247
|
4.7
|
31.9
|
1.0
|
|
N
|
F:GLY356
|
4.8
|
20.4
|
1.0
|
|
N
|
F:ILE355
|
4.9
|
22.2
|
1.0
|
|
C
|
F:CYS354
|
4.9
|
22.8
|
1.0
|
|
Iron binding site 7 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 7 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe1407
b:23.8
occ:1.00
|
FE
|
G:HEM1407
|
0.0
|
23.8
|
1.0
|
|
ND
|
G:HEM1407
|
2.0
|
23.0
|
1.0
|
|
NB
|
G:HEM1407
|
2.0
|
24.6
|
1.0
|
|
NC
|
G:HEM1407
|
2.1
|
22.8
|
1.0
|
|
NA
|
G:HEM1407
|
2.1
|
22.7
|
1.0
|
|
SG
|
G:CYS354
|
2.3
|
21.6
|
1.0
|
|
C1D
|
G:HEM1407
|
3.0
|
23.1
|
1.0
|
|
C4D
|
G:HEM1407
|
3.0
|
23.4
|
1.0
|
|
C4B
|
G:HEM1407
|
3.1
|
24.5
|
1.0
|
|
C1B
|
G:HEM1407
|
3.1
|
24.8
|
1.0
|
|
C4C
|
G:HEM1407
|
3.1
|
23.1
|
1.0
|
|
C4A
|
G:HEM1407
|
3.1
|
22.8
|
1.0
|
|
C1C
|
G:HEM1407
|
3.1
|
23.4
|
1.0
|
|
C1A
|
G:HEM1407
|
3.1
|
22.4
|
1.0
|
|
CB
|
G:CYS354
|
3.4
|
21.3
|
1.0
|
|
CHA
|
G:HEM1407
|
3.4
|
23.1
|
1.0
|
|
CHD
|
G:HEM1407
|
3.4
|
23.5
|
1.0
|
|
CHC
|
G:HEM1407
|
3.4
|
24.9
|
1.0
|
|
CHB
|
G:HEM1407
|
3.4
|
23.6
|
1.0
|
|
C2
|
G:17Q1410
|
3.9
|
41.6
|
1.0
|
|
CA
|
G:CYS354
|
4.1
|
21.4
|
1.0
|
|
C3
|
G:17Q1410
|
4.1
|
43.1
|
1.0
|
|
C2D
|
G:HEM1407
|
4.3
|
22.6
|
1.0
|
|
C3D
|
G:HEM1407
|
4.3
|
22.9
|
1.0
|
|
C3B
|
G:HEM1407
|
4.3
|
25.1
|
1.0
|
|
C2B
|
G:HEM1407
|
4.3
|
24.6
|
1.0
|
|
C3C
|
G:HEM1407
|
4.3
|
23.8
|
1.0
|
|
C2C
|
G:HEM1407
|
4.3
|
23.1
|
1.0
|
|
C3A
|
G:HEM1407
|
4.3
|
23.1
|
1.0
|
|
C2A
|
G:HEM1407
|
4.3
|
22.6
|
1.0
|
|
CB
|
G:ALA243
|
4.6
|
32.7
|
1.0
|
|
C4
|
G:17Q1410
|
4.7
|
43.5
|
1.0
|
|
N
|
G:ILE355
|
4.7
|
22.6
|
1.0
|
|
C
|
G:CYS354
|
4.8
|
22.2
|
1.0
|
|
N
|
G:GLY356
|
4.9
|
23.1
|
1.0
|
|
Iron binding site 8 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 8 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe1407
b:20.0
occ:1.00
|
FE
|
H:HEM1407
|
0.0
|
20.0
|
1.0
|
|
NC
|
H:HEM1407
|
2.0
|
18.8
|
1.0
|
|
NA
|
H:HEM1407
|
2.0
|
20.2
|
1.0
|
|
NB
|
H:HEM1407
|
2.0
|
19.7
|
1.0
|
|
ND
|
H:HEM1407
|
2.1
|
19.6
|
1.0
|
|
SG
|
H:CYS354
|
2.3
|
19.2
|
1.0
|
|
C4C
|
H:HEM1407
|
3.0
|
19.8
|
1.0
|
|
C1C
|
H:HEM1407
|
3.0
|
18.1
|
1.0
|
|
C4B
|
H:HEM1407
|
3.0
|
18.0
|
1.0
|
|
C1B
|
H:HEM1407
|
3.1
|
19.4
|
1.0
|
|
C4A
|
H:HEM1407
|
3.1
|
19.5
|
1.0
|
|
C1A
|
H:HEM1407
|
3.1
|
21.3
|
1.0
|
|
C1D
|
H:HEM1407
|
3.1
|
20.2
|
1.0
|
|
C4D
|
H:HEM1407
|
3.1
|
19.3
|
1.0
|
|
CB
|
H:CYS354
|
3.3
|
19.3
|
1.0
|
|
CHC
|
H:HEM1407
|
3.4
|
18.1
|
1.0
|
|
CHD
|
H:HEM1407
|
3.4
|
20.2
|
1.0
|
|
CHB
|
H:HEM1407
|
3.4
|
19.3
|
1.0
|
|
CHA
|
H:HEM1407
|
3.4
|
20.2
|
1.0
|
|
CA
|
H:CYS354
|
4.1
|
19.1
|
1.0
|
|
C3C
|
H:HEM1407
|
4.2
|
20.2
|
1.0
|
|
C2C
|
H:HEM1407
|
4.2
|
18.5
|
1.0
|
|
C3B
|
H:HEM1407
|
4.3
|
17.2
|
1.0
|
|
C2B
|
H:HEM1407
|
4.3
|
17.8
|
1.0
|
|
C3A
|
H:HEM1407
|
4.3
|
19.7
|
1.0
|
|
C2A
|
H:HEM1407
|
4.3
|
20.3
|
1.0
|
|
C2D
|
H:HEM1407
|
4.3
|
19.5
|
1.0
|
|
C3D
|
H:HEM1407
|
4.3
|
19.6
|
1.0
|
|
O
|
H:ALA243
|
4.7
|
36.4
|
1.0
|
|
N
|
H:GLY356
|
4.8
|
18.7
|
1.0
|
|
OG1
|
H:THR247
|
4.9
|
32.4
|
1.0
|
|
C
|
H:CYS354
|
4.9
|
19.2
|
1.0
|
|
N
|
H:ILE355
|
4.9
|
18.8
|
1.0
|
|
CB
|
H:ALA243
|
5.0
|
35.1
|
1.0
|
|
Iron binding site 9 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 9 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe1407
b:25.2
occ:1.00
|
FE
|
I:HEM1407
|
0.0
|
25.2
|
1.0
|
|
NC
|
I:HEM1407
|
1.9
|
25.8
|
1.0
|
|
NA
|
I:HEM1407
|
2.0
|
24.7
|
1.0
|
|
ND
|
I:HEM1407
|
2.1
|
25.6
|
1.0
|
|
NB
|
I:HEM1407
|
2.1
|
25.3
|
1.0
|
|
SG
|
I:CYS354
|
2.4
|
24.0
|
1.0
|
|
C4C
|
I:HEM1407
|
2.9
|
27.0
|
1.0
|
|
C1C
|
I:HEM1407
|
3.0
|
26.6
|
1.0
|
|
C4A
|
I:HEM1407
|
3.0
|
24.8
|
1.0
|
|
C1A
|
I:HEM1407
|
3.1
|
24.7
|
1.0
|
|
C1D
|
I:HEM1407
|
3.1
|
26.3
|
1.0
|
|
C4D
|
I:HEM1407
|
3.1
|
26.5
|
1.0
|
|
C1B
|
I:HEM1407
|
3.1
|
24.8
|
1.0
|
|
C4B
|
I:HEM1407
|
3.1
|
25.3
|
1.0
|
|
CB
|
I:CYS354
|
3.3
|
22.9
|
1.0
|
|
CHD
|
I:HEM1407
|
3.3
|
27.2
|
1.0
|
|
CHB
|
I:HEM1407
|
3.4
|
24.9
|
1.0
|
|
CHC
|
I:HEM1407
|
3.4
|
26.1
|
1.0
|
|
CHA
|
I:HEM1407
|
3.5
|
25.1
|
1.0
|
|
CA
|
I:CYS354
|
4.1
|
22.5
|
1.0
|
|
C3C
|
I:HEM1407
|
4.1
|
28.3
|
1.0
|
|
C2C
|
I:HEM1407
|
4.2
|
27.2
|
1.0
|
|
C3A
|
I:HEM1407
|
4.2
|
25.4
|
1.0
|
|
C2A
|
I:HEM1407
|
4.3
|
25.7
|
1.0
|
|
C3B
|
I:HEM1407
|
4.3
|
24.6
|
1.0
|
|
C2B
|
I:HEM1407
|
4.4
|
24.2
|
1.0
|
|
C2D
|
I:HEM1407
|
4.4
|
26.8
|
1.0
|
|
C3D
|
I:HEM1407
|
4.4
|
27.2
|
1.0
|
|
N
|
I:GLY356
|
4.8
|
21.3
|
1.0
|
|
C
|
I:CYS354
|
4.8
|
22.6
|
1.0
|
|
N
|
I:ILE355
|
4.9
|
22.3
|
1.0
|
|
OG1
|
I:THR247
|
4.9
|
35.1
|
1.0
|
|
CB
|
I:ALA243
|
5.0
|
37.1
|
1.0
|
|
Iron binding site 10 out
of 16 in 4bf4
Go back to
Iron Binding Sites List in 4bf4
Iron binding site 10 out
of 16 in the Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Pikc D50N Mutant in Complex with the Engineered Cycloalkane Substrate Mimic Bearing A Termianl N,N-Dimethylamino Group within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe1407
b:28.0
occ:1.00
|
FE
|
J:HEM1407
|
0.0
|
28.0
|
1.0
|
|
NC
|
J:HEM1407
|
2.0
|
28.2
|
1.0
|
|
NA
|
J:HEM1407
|
2.0
|
26.6
|
1.0
|
|
NB
|
J:HEM1407
|
2.0
|
27.3
|
1.0
|
|
ND
|
J:HEM1407
|
2.1
|
27.5
|
1.0
|
|
SG
|
J:CYS354
|
2.3
|
19.2
|
1.0
|
|
C4C
|
J:HEM1407
|
3.0
|
29.5
|
1.0
|
|
C4A
|
J:HEM1407
|
3.0
|
27.4
|
1.0
|
|
C1C
|
J:HEM1407
|
3.0
|
29.0
|
1.0
|
|
C1B
|
J:HEM1407
|
3.0
|
27.1
|
1.0
|
|
C4B
|
J:HEM1407
|
3.0
|
27.8
|
1.0
|
|
C1A
|
J:HEM1407
|
3.0
|
27.1
|
1.0
|
|
C1D
|
J:HEM1407
|
3.1
|
28.4
|
1.0
|
|
C4D
|
J:HEM1407
|
3.1
|
27.2
|
1.0
|
|
CHB
|
J:HEM1407
|
3.4
|
27.5
|
1.0
|
|
CHD
|
J:HEM1407
|
3.4
|
29.1
|
1.0
|
|
CHC
|
J:HEM1407
|
3.4
|
29.1
|
1.0
|
|
CHA
|
J:HEM1407
|
3.4
|
27.2
|
1.0
|
|
CB
|
J:CYS354
|
3.5
|
22.2
|
1.0
|
|
O
|
J:ALA243
|
4.0
|
47.1
|
1.0
|
|
C3C
|
J:HEM1407
|
4.2
|
30.9
|
1.0
|
|
C2C
|
J:HEM1407
|
4.2
|
30.6
|
1.0
|
|
C3A
|
J:HEM1407
|
4.2
|
28.5
|
1.0
|
|
CA
|
J:CYS354
|
4.2
|
22.7
|
1.0
|
|
C2A
|
J:HEM1407
|
4.3
|
28.2
|
1.0
|
|
C2B
|
J:HEM1407
|
4.3
|
27.3
|
1.0
|
|
C3B
|
J:HEM1407
|
4.3
|
26.9
|
1.0
|
|
C2D
|
J:HEM1407
|
4.3
|
28.2
|
1.0
|
|
C3D
|
J:HEM1407
|
4.4
|
27.8
|
1.0
|
|
N
|
J:GLY356
|
4.6
|
26.0
|
1.0
|
|
N
|
J:ILE355
|
4.8
|
24.1
|
1.0
|
|
C
|
J:CYS354
|
4.9
|
23.2
|
1.0
|
|
CA
|
J:GLY356
|
5.0
|
26.9
|
1.0
|
|
OG1
|
J:THR247
|
5.0
|
37.0
|
1.0
|
|
Reference:
L.M.Podust,
L.M.Podust.
N/A N/A.
Page generated: Tue Aug 5 09:11:13 2025
|
