Fluorine in PDB 6adi: Crystal Structures of IDH2 R140Q in Complex with Ag-881
Enzymatic activity of Crystal Structures of IDH2 R140Q in Complex with Ag-881
All present enzymatic activity of Crystal Structures of IDH2 R140Q in Complex with Ag-881:
1.1.1.42;
Protein crystallography data
The structure of Crystal Structures of IDH2 R140Q in Complex with Ag-881, PDB code: 6adi
was solved by
R.Ma,
C.H.Yun,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.61 /
1.97
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
57.781,
118.419,
126.082,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
20.6 /
22.6
|
Other elements in 6adi:
The structure of Crystal Structures of IDH2 R140Q in Complex with Ag-881 also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
(pdb code 6adi). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Crystal Structures of IDH2 R140Q in Complex with Ag-881, PDB code: 6adi:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 1 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:27.0
occ:0.57
|
F04
|
A:9UO502
|
0.0
|
27.0
|
0.6
|
|
F04
|
A:9UO502
|
0.1
|
26.9
|
0.4
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.6
|
|
C03
|
A:9UO502
|
1.4
|
22.9
|
0.4
|
|
F06
|
A:9UO502
|
2.1
|
21.8
|
0.4
|
|
F06
|
A:9UO502
|
2.1
|
21.8
|
0.6
|
|
F05
|
A:9UO502
|
2.2
|
22.2
|
0.6
|
|
F05
|
A:9UO502
|
2.2
|
22.2
|
0.4
|
|
C02
|
A:9UO502
|
2.3
|
24.0
|
0.6
|
|
C02
|
A:9UO502
|
2.4
|
23.9
|
0.4
|
|
CD1
|
B:ILE319
|
2.5
|
18.2
|
1.0
|
|
N07
|
A:9UO502
|
2.8
|
21.4
|
0.6
|
|
N07
|
A:9UO502
|
2.8
|
21.6
|
0.4
|
|
C08
|
A:9UO502
|
3.0
|
18.1
|
0.4
|
|
N27
|
A:9UO502
|
3.0
|
16.5
|
0.6
|
|
N27
|
A:9UO502
|
3.0
|
16.6
|
0.4
|
|
C08
|
A:9UO502
|
3.1
|
18.1
|
0.6
|
|
O
|
A:VAL294
|
3.3
|
15.0
|
1.0
|
|
C01
|
A:9UO502
|
3.6
|
23.8
|
0.6
|
|
CB
|
A:VAL294
|
3.7
|
11.8
|
1.0
|
|
C01
|
A:9UO502
|
3.7
|
23.6
|
0.4
|
|
C
|
A:VAL294
|
3.8
|
11.7
|
1.0
|
|
N09
|
A:9UO502
|
3.9
|
17.5
|
0.4
|
|
CG1
|
B:ILE319
|
3.9
|
17.5
|
1.0
|
|
CA
|
A:VAL294
|
4.0
|
8.3
|
1.0
|
|
C19
|
A:9UO502
|
4.0
|
17.2
|
0.4
|
|
C19
|
A:9UO502
|
4.0
|
17.0
|
0.6
|
|
N09
|
A:9UO502
|
4.1
|
16.8
|
0.6
|
|
CG1
|
A:VAL294
|
4.4
|
12.4
|
1.0
|
|
CB
|
A:LEU298
|
4.5
|
13.1
|
1.0
|
|
CG
|
A:LEU298
|
4.6
|
22.5
|
1.0
|
|
CB
|
B:ILE319
|
4.6
|
20.1
|
1.0
|
|
CG2
|
A:VAL294
|
4.6
|
15.1
|
1.0
|
|
N
|
A:LEU298
|
4.7
|
13.4
|
1.0
|
|
C10
|
A:9UO502
|
4.7
|
14.8
|
0.4
|
|
N20
|
A:9UO502
|
4.7
|
17.7
|
0.4
|
|
N18
|
A:9UO502
|
4.7
|
16.6
|
0.4
|
|
N20
|
A:9UO502
|
4.7
|
17.9
|
0.6
|
|
CG1
|
A:VAL297
|
4.8
|
9.7
|
1.0
|
|
N18
|
A:9UO502
|
4.8
|
17.1
|
0.6
|
|
CB
|
A:VAL297
|
4.9
|
12.9
|
1.0
|
|
C21
|
A:9UO502
|
4.9
|
20.1
|
0.4
|
|
C10
|
A:9UO502
|
4.9
|
14.0
|
0.6
|
|
N
|
A:ALA295
|
4.9
|
17.2
|
1.0
|
|
CA
|
A:LEU298
|
4.9
|
16.4
|
1.0
|
|
C21
|
A:9UO502
|
4.9
|
20.2
|
0.6
|
|
Fluorine binding site 2 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 2 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:26.9
occ:0.43
|
F04
|
A:9UO502
|
0.0
|
26.9
|
0.4
|
|
F04
|
A:9UO502
|
0.1
|
27.0
|
0.6
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.6
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.4
|
|
F06
|
A:9UO502
|
2.1
|
21.8
|
0.4
|
|
F06
|
A:9UO502
|
2.1
|
21.8
|
0.6
|
|
F05
|
A:9UO502
|
2.1
|
22.2
|
0.6
|
|
F05
|
A:9UO502
|
2.2
|
22.2
|
0.4
|
|
C02
|
A:9UO502
|
2.3
|
24.0
|
0.6
|
|
C02
|
A:9UO502
|
2.3
|
23.9
|
0.4
|
|
CD1
|
B:ILE319
|
2.5
|
18.2
|
1.0
|
|
N07
|
A:9UO502
|
2.8
|
21.4
|
0.6
|
|
N07
|
A:9UO502
|
2.8
|
21.6
|
0.4
|
|
C08
|
A:9UO502
|
3.0
|
18.1
|
0.4
|
|
N27
|
A:9UO502
|
3.0
|
16.5
|
0.6
|
|
N27
|
A:9UO502
|
3.0
|
16.6
|
0.4
|
|
C08
|
A:9UO502
|
3.1
|
18.1
|
0.6
|
|
O
|
A:VAL294
|
3.3
|
15.0
|
1.0
|
|
C01
|
A:9UO502
|
3.6
|
23.8
|
0.6
|
|
C01
|
A:9UO502
|
3.6
|
23.6
|
0.4
|
|
CB
|
A:VAL294
|
3.7
|
11.8
|
1.0
|
|
N09
|
A:9UO502
|
3.9
|
17.5
|
0.4
|
|
C
|
A:VAL294
|
3.9
|
11.7
|
1.0
|
|
C19
|
A:9UO502
|
4.0
|
17.2
|
0.4
|
|
CG1
|
B:ILE319
|
4.0
|
17.5
|
1.0
|
|
C19
|
A:9UO502
|
4.0
|
17.0
|
0.6
|
|
CA
|
A:VAL294
|
4.0
|
8.3
|
1.0
|
|
N09
|
A:9UO502
|
4.1
|
16.8
|
0.6
|
|
CG1
|
A:VAL294
|
4.5
|
12.4
|
1.0
|
|
CB
|
A:LEU298
|
4.5
|
13.1
|
1.0
|
|
CG
|
A:LEU298
|
4.6
|
22.5
|
1.0
|
|
CB
|
B:ILE319
|
4.6
|
20.1
|
1.0
|
|
C10
|
A:9UO502
|
4.7
|
14.8
|
0.4
|
|
N20
|
A:9UO502
|
4.7
|
17.7
|
0.4
|
|
N
|
A:LEU298
|
4.7
|
13.4
|
1.0
|
|
N18
|
A:9UO502
|
4.7
|
16.6
|
0.4
|
|
CG2
|
A:VAL294
|
4.7
|
15.1
|
1.0
|
|
N20
|
A:9UO502
|
4.7
|
17.9
|
0.6
|
|
CG1
|
A:VAL297
|
4.8
|
9.7
|
1.0
|
|
N18
|
A:9UO502
|
4.8
|
17.1
|
0.6
|
|
C21
|
A:9UO502
|
4.8
|
20.1
|
0.4
|
|
CB
|
A:VAL297
|
4.9
|
12.9
|
1.0
|
|
C10
|
A:9UO502
|
4.9
|
14.0
|
0.6
|
|
C21
|
A:9UO502
|
4.9
|
20.2
|
0.6
|
|
CA
|
A:LEU298
|
4.9
|
16.4
|
1.0
|
|
N
|
A:ALA295
|
5.0
|
17.2
|
1.0
|
|
OE1
|
A:GLN316
|
5.0
|
22.8
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 3 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:22.2
occ:0.57
|
F05
|
A:9UO502
|
0.0
|
22.2
|
0.6
|
|
F05
|
A:9UO502
|
0.1
|
22.2
|
0.4
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.4
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.6
|
|
C02
|
A:9UO502
|
2.1
|
23.9
|
0.4
|
|
F04
|
A:9UO502
|
2.1
|
26.9
|
0.4
|
|
F06
|
A:9UO502
|
2.2
|
21.8
|
0.4
|
|
F06
|
A:9UO502
|
2.2
|
21.8
|
0.6
|
|
F04
|
A:9UO502
|
2.2
|
27.0
|
0.6
|
|
C02
|
A:9UO502
|
2.3
|
24.0
|
0.6
|
|
C01
|
A:9UO502
|
2.7
|
23.6
|
0.4
|
|
C01
|
A:9UO502
|
2.7
|
23.8
|
0.6
|
|
N07
|
A:9UO502
|
3.4
|
21.6
|
0.4
|
|
CG1
|
A:VAL297
|
3.5
|
9.7
|
1.0
|
|
N07
|
A:9UO502
|
3.6
|
21.4
|
0.6
|
|
CZ2
|
A:TRP164
|
3.6
|
14.5
|
1.0
|
|
N
|
A:LEU298
|
3.8
|
13.4
|
1.0
|
|
CD1
|
B:ILE319
|
3.9
|
18.2
|
1.0
|
|
CA
|
A:LEU298
|
3.9
|
16.4
|
1.0
|
|
O
|
A:VAL294
|
4.0
|
15.0
|
1.0
|
|
CB
|
A:LEU298
|
4.1
|
13.1
|
1.0
|
|
CB
|
A:VAL297
|
4.1
|
12.9
|
1.0
|
|
CG
|
A:LEU298
|
4.1
|
22.5
|
1.0
|
|
CH2
|
A:TRP164
|
4.1
|
16.0
|
1.0
|
|
CD2
|
A:LEU298
|
4.2
|
21.2
|
1.0
|
|
C08
|
A:9UO502
|
4.3
|
18.1
|
0.4
|
|
C
|
A:VAL297
|
4.3
|
13.9
|
1.0
|
|
N27
|
A:9UO502
|
4.4
|
16.6
|
0.4
|
|
C08
|
A:9UO502
|
4.4
|
18.1
|
0.6
|
|
N27
|
A:9UO502
|
4.5
|
16.5
|
0.6
|
|
O
|
A:VAL297
|
4.8
|
13.0
|
1.0
|
|
CE2
|
A:TRP164
|
4.8
|
10.0
|
1.0
|
|
CA
|
A:VAL297
|
4.9
|
10.5
|
1.0
|
|
C
|
A:VAL294
|
5.0
|
11.7
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 4 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:22.2
occ:0.43
|
F05
|
A:9UO502
|
0.0
|
22.2
|
0.4
|
|
F05
|
A:9UO502
|
0.1
|
22.2
|
0.6
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.4
|
|
C03
|
A:9UO502
|
1.4
|
22.9
|
0.6
|
|
F04
|
A:9UO502
|
2.2
|
26.9
|
0.4
|
|
F06
|
A:9UO502
|
2.2
|
21.8
|
0.4
|
|
F04
|
A:9UO502
|
2.2
|
27.0
|
0.6
|
|
F06
|
A:9UO502
|
2.2
|
21.8
|
0.6
|
|
C02
|
A:9UO502
|
2.2
|
23.9
|
0.4
|
|
C02
|
A:9UO502
|
2.4
|
24.0
|
0.6
|
|
C01
|
A:9UO502
|
2.7
|
23.6
|
0.4
|
|
C01
|
A:9UO502
|
2.8
|
23.8
|
0.6
|
|
CG1
|
A:VAL297
|
3.5
|
9.7
|
1.0
|
|
N07
|
A:9UO502
|
3.5
|
21.6
|
0.4
|
|
CZ2
|
A:TRP164
|
3.6
|
14.5
|
1.0
|
|
N07
|
A:9UO502
|
3.7
|
21.4
|
0.6
|
|
N
|
A:LEU298
|
3.7
|
13.4
|
1.0
|
|
CA
|
A:LEU298
|
3.8
|
16.4
|
1.0
|
|
CD1
|
B:ILE319
|
3.9
|
18.2
|
1.0
|
|
O
|
A:VAL294
|
4.0
|
15.0
|
1.0
|
|
CB
|
A:LEU298
|
4.0
|
13.1
|
1.0
|
|
CG
|
A:LEU298
|
4.1
|
22.5
|
1.0
|
|
CD2
|
A:LEU298
|
4.1
|
21.2
|
1.0
|
|
CB
|
A:VAL297
|
4.1
|
12.9
|
1.0
|
|
CH2
|
A:TRP164
|
4.1
|
16.0
|
1.0
|
|
C
|
A:VAL297
|
4.2
|
13.9
|
1.0
|
|
C08
|
A:9UO502
|
4.3
|
18.1
|
0.4
|
|
N27
|
A:9UO502
|
4.5
|
16.6
|
0.4
|
|
C08
|
A:9UO502
|
4.5
|
18.1
|
0.6
|
|
N27
|
A:9UO502
|
4.5
|
16.5
|
0.6
|
|
O
|
A:VAL297
|
4.7
|
13.0
|
1.0
|
|
CE2
|
A:TRP164
|
4.8
|
10.0
|
1.0
|
|
CA
|
A:VAL297
|
4.8
|
10.5
|
1.0
|
|
C
|
A:VAL294
|
4.9
|
11.7
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 5 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:21.8
occ:0.57
|
F06
|
A:9UO502
|
0.0
|
21.8
|
0.6
|
|
F06
|
A:9UO502
|
0.0
|
21.8
|
0.4
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.6
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.4
|
|
F04
|
A:9UO502
|
2.1
|
27.0
|
0.6
|
|
F04
|
A:9UO502
|
2.1
|
26.9
|
0.4
|
|
F05
|
A:9UO502
|
2.2
|
22.2
|
0.6
|
|
F05
|
A:9UO502
|
2.2
|
22.2
|
0.4
|
|
C02
|
A:9UO502
|
2.4
|
23.9
|
0.4
|
|
C02
|
A:9UO502
|
2.4
|
24.0
|
0.6
|
|
C01
|
A:9UO502
|
2.8
|
23.6
|
0.4
|
|
C01
|
A:9UO502
|
2.8
|
23.8
|
0.6
|
|
N07
|
A:9UO502
|
2.9
|
21.6
|
0.4
|
|
N07
|
A:9UO502
|
2.9
|
21.4
|
0.6
|
|
CG1
|
A:VAL297
|
3.1
|
9.7
|
1.0
|
|
CB
|
A:VAL297
|
3.3
|
12.9
|
1.0
|
|
O
|
A:VAL294
|
3.4
|
15.0
|
1.0
|
|
CA
|
A:VAL294
|
3.7
|
8.3
|
1.0
|
|
C08
|
A:9UO502
|
3.7
|
18.1
|
0.4
|
|
OE1
|
A:GLN316
|
3.8
|
22.8
|
1.0
|
|
CB
|
A:VAL294
|
3.9
|
11.8
|
1.0
|
|
C08
|
A:9UO502
|
3.9
|
18.1
|
0.6
|
|
CZ3
|
A:TRP306
|
3.9
|
8.7
|
1.0
|
|
CH2
|
A:TRP306
|
3.9
|
8.3
|
1.0
|
|
C
|
A:VAL294
|
4.0
|
11.7
|
1.0
|
|
CG2
|
A:VAL297
|
4.1
|
7.8
|
1.0
|
|
CG1
|
A:VAL294
|
4.2
|
12.4
|
1.0
|
|
N09
|
A:9UO502
|
4.4
|
17.5
|
0.4
|
|
N27
|
A:9UO502
|
4.4
|
16.6
|
0.4
|
|
N27
|
A:9UO502
|
4.5
|
16.5
|
0.6
|
|
CD1
|
B:ILE319
|
4.5
|
18.2
|
1.0
|
|
N
|
A:LEU298
|
4.5
|
13.4
|
1.0
|
|
CA
|
A:VAL297
|
4.6
|
10.5
|
1.0
|
|
CD
|
A:GLN316
|
4.6
|
20.6
|
1.0
|
|
C
|
A:VAL297
|
4.7
|
13.9
|
1.0
|
|
N09
|
A:9UO502
|
4.7
|
16.8
|
0.6
|
|
NE2
|
A:GLN316
|
4.7
|
22.3
|
1.0
|
|
N
|
A:VAL294
|
4.9
|
12.3
|
1.0
|
|
O
|
A:MET293
|
4.9
|
10.0
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 6 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:21.8
occ:0.43
|
F06
|
A:9UO502
|
0.0
|
21.8
|
0.4
|
|
F06
|
A:9UO502
|
0.0
|
21.8
|
0.6
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.6
|
|
C03
|
A:9UO502
|
1.3
|
22.9
|
0.4
|
|
F04
|
A:9UO502
|
2.1
|
27.0
|
0.6
|
|
F04
|
A:9UO502
|
2.1
|
26.9
|
0.4
|
|
F05
|
A:9UO502
|
2.2
|
22.2
|
0.6
|
|
F05
|
A:9UO502
|
2.2
|
22.2
|
0.4
|
|
C02
|
A:9UO502
|
2.4
|
23.9
|
0.4
|
|
C02
|
A:9UO502
|
2.4
|
24.0
|
0.6
|
|
C01
|
A:9UO502
|
2.8
|
23.6
|
0.4
|
|
C01
|
A:9UO502
|
2.8
|
23.8
|
0.6
|
|
N07
|
A:9UO502
|
2.9
|
21.6
|
0.4
|
|
N07
|
A:9UO502
|
2.9
|
21.4
|
0.6
|
|
CG1
|
A:VAL297
|
3.1
|
9.7
|
1.0
|
|
CB
|
A:VAL297
|
3.3
|
12.9
|
1.0
|
|
O
|
A:VAL294
|
3.4
|
15.0
|
1.0
|
|
CA
|
A:VAL294
|
3.7
|
8.3
|
1.0
|
|
C08
|
A:9UO502
|
3.8
|
18.1
|
0.4
|
|
OE1
|
A:GLN316
|
3.8
|
22.8
|
1.0
|
|
CB
|
A:VAL294
|
3.9
|
11.8
|
1.0
|
|
C08
|
A:9UO502
|
3.9
|
18.1
|
0.6
|
|
CZ3
|
A:TRP306
|
3.9
|
8.7
|
1.0
|
|
CH2
|
A:TRP306
|
3.9
|
8.3
|
1.0
|
|
C
|
A:VAL294
|
4.0
|
11.7
|
1.0
|
|
CG2
|
A:VAL297
|
4.1
|
7.8
|
1.0
|
|
CG1
|
A:VAL294
|
4.2
|
12.4
|
1.0
|
|
N09
|
A:9UO502
|
4.4
|
17.5
|
0.4
|
|
N27
|
A:9UO502
|
4.4
|
16.6
|
0.4
|
|
N
|
A:LEU298
|
4.5
|
13.4
|
1.0
|
|
CD1
|
B:ILE319
|
4.5
|
18.2
|
1.0
|
|
N27
|
A:9UO502
|
4.5
|
16.5
|
0.6
|
|
CA
|
A:VAL297
|
4.5
|
10.5
|
1.0
|
|
CD
|
A:GLN316
|
4.6
|
20.6
|
1.0
|
|
C
|
A:VAL297
|
4.7
|
13.9
|
1.0
|
|
N09
|
A:9UO502
|
4.7
|
16.8
|
0.6
|
|
NE2
|
A:GLN316
|
4.8
|
22.3
|
1.0
|
|
N
|
A:VAL294
|
4.9
|
12.3
|
1.0
|
|
O
|
A:MET293
|
4.9
|
10.0
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 7 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:20.9
occ:0.57
|
F24
|
A:9UO502
|
0.0
|
20.9
|
0.6
|
|
F24
|
A:9UO502
|
0.0
|
20.8
|
0.4
|
|
C23
|
A:9UO502
|
1.3
|
20.4
|
0.4
|
|
C23
|
A:9UO502
|
1.4
|
20.5
|
0.6
|
|
F26
|
A:9UO502
|
2.2
|
19.0
|
0.4
|
|
F25
|
A:9UO502
|
2.2
|
18.7
|
0.4
|
|
F26
|
A:9UO502
|
2.2
|
19.1
|
0.6
|
|
F25
|
A:9UO502
|
2.2
|
18.7
|
0.6
|
|
C21
|
A:9UO502
|
2.3
|
20.1
|
0.4
|
|
C21
|
A:9UO502
|
2.4
|
20.2
|
0.6
|
|
CG1
|
B:VAL294
|
2.7
|
18.6
|
1.0
|
|
N20
|
A:9UO502
|
2.9
|
17.9
|
0.6
|
|
CD1
|
A:ILE319
|
2.9
|
25.6
|
1.0
|
|
N20
|
A:9UO502
|
2.9
|
17.7
|
0.4
|
|
C19
|
A:9UO502
|
3.0
|
17.0
|
0.6
|
|
N27
|
A:9UO502
|
3.1
|
16.6
|
0.4
|
|
N27
|
A:9UO502
|
3.1
|
16.5
|
0.6
|
|
C19
|
A:9UO502
|
3.1
|
17.2
|
0.4
|
|
O
|
B:VAL294
|
3.2
|
12.5
|
1.0
|
|
C22
|
A:9UO502
|
3.6
|
18.6
|
0.4
|
|
C22
|
A:9UO502
|
3.7
|
18.6
|
0.6
|
|
C
|
B:VAL294
|
3.8
|
14.1
|
1.0
|
|
CB
|
B:VAL294
|
3.8
|
13.5
|
1.0
|
|
CA
|
B:VAL294
|
3.9
|
11.1
|
1.0
|
|
N18
|
A:9UO502
|
3.9
|
17.1
|
0.6
|
|
CG1
|
A:ILE319
|
4.0
|
27.1
|
1.0
|
|
C08
|
A:9UO502
|
4.0
|
18.1
|
0.6
|
|
C08
|
A:9UO502
|
4.0
|
18.1
|
0.4
|
|
N18
|
A:9UO502
|
4.2
|
16.6
|
0.4
|
|
CG2
|
B:VAL294
|
4.4
|
9.6
|
1.0
|
|
CB
|
B:LEU298
|
4.5
|
15.5
|
1.0
|
|
N
|
B:LEU298
|
4.7
|
12.3
|
1.0
|
|
CG
|
B:LEU298
|
4.7
|
19.9
|
1.0
|
|
N09
|
A:9UO502
|
4.7
|
16.8
|
0.6
|
|
C10
|
A:9UO502
|
4.7
|
14.0
|
0.6
|
|
N07
|
A:9UO502
|
4.8
|
21.6
|
0.4
|
|
N07
|
A:9UO502
|
4.8
|
21.4
|
0.6
|
|
CB
|
B:VAL297
|
4.8
|
7.6
|
1.0
|
|
N09
|
A:9UO502
|
4.8
|
17.5
|
0.4
|
|
CB
|
A:ILE319
|
4.8
|
21.4
|
1.0
|
|
CG1
|
B:VAL297
|
4.9
|
13.0
|
1.0
|
|
N
|
B:ALA295
|
4.9
|
10.8
|
1.0
|
|
C10
|
A:9UO502
|
4.9
|
14.8
|
0.4
|
|
C02
|
A:9UO502
|
4.9
|
24.0
|
0.6
|
|
CA
|
B:LEU298
|
5.0
|
14.5
|
1.0
|
|
OE1
|
B:GLN316
|
5.0
|
19.0
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 8 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:20.8
occ:0.43
|
F24
|
A:9UO502
|
0.0
|
20.8
|
0.4
|
|
F24
|
A:9UO502
|
0.0
|
20.9
|
0.6
|
|
C23
|
A:9UO502
|
1.3
|
20.4
|
0.4
|
|
C23
|
A:9UO502
|
1.4
|
20.5
|
0.6
|
|
F26
|
A:9UO502
|
2.2
|
19.0
|
0.4
|
|
F25
|
A:9UO502
|
2.2
|
18.7
|
0.4
|
|
F26
|
A:9UO502
|
2.2
|
19.1
|
0.6
|
|
F25
|
A:9UO502
|
2.2
|
18.7
|
0.6
|
|
C21
|
A:9UO502
|
2.4
|
20.1
|
0.4
|
|
C21
|
A:9UO502
|
2.4
|
20.2
|
0.6
|
|
CG1
|
B:VAL294
|
2.7
|
18.6
|
1.0
|
|
CD1
|
A:ILE319
|
2.8
|
25.6
|
1.0
|
|
N20
|
A:9UO502
|
2.9
|
17.7
|
0.4
|
|
N20
|
A:9UO502
|
2.9
|
17.9
|
0.6
|
|
C19
|
A:9UO502
|
3.1
|
17.0
|
0.6
|
|
N27
|
A:9UO502
|
3.1
|
16.6
|
0.4
|
|
N27
|
A:9UO502
|
3.1
|
16.5
|
0.6
|
|
C19
|
A:9UO502
|
3.1
|
17.2
|
0.4
|
|
O
|
B:VAL294
|
3.2
|
12.5
|
1.0
|
|
C22
|
A:9UO502
|
3.7
|
18.6
|
0.4
|
|
C22
|
A:9UO502
|
3.8
|
18.6
|
0.6
|
|
C
|
B:VAL294
|
3.8
|
14.1
|
1.0
|
|
CB
|
B:VAL294
|
3.8
|
13.5
|
1.0
|
|
CA
|
B:VAL294
|
3.9
|
11.1
|
1.0
|
|
N18
|
A:9UO502
|
4.0
|
17.1
|
0.6
|
|
CG1
|
A:ILE319
|
4.0
|
27.1
|
1.0
|
|
C08
|
A:9UO502
|
4.0
|
18.1
|
0.6
|
|
C08
|
A:9UO502
|
4.0
|
18.1
|
0.4
|
|
N18
|
A:9UO502
|
4.2
|
16.6
|
0.4
|
|
CG2
|
B:VAL294
|
4.4
|
9.6
|
1.0
|
|
CB
|
B:LEU298
|
4.5
|
15.5
|
1.0
|
|
N
|
B:LEU298
|
4.7
|
12.3
|
1.0
|
|
N09
|
A:9UO502
|
4.7
|
16.8
|
0.6
|
|
CG
|
B:LEU298
|
4.7
|
19.9
|
1.0
|
|
C10
|
A:9UO502
|
4.7
|
14.0
|
0.6
|
|
N07
|
A:9UO502
|
4.7
|
21.6
|
0.4
|
|
N07
|
A:9UO502
|
4.8
|
21.4
|
0.6
|
|
CB
|
A:ILE319
|
4.8
|
21.4
|
1.0
|
|
N09
|
A:9UO502
|
4.8
|
17.5
|
0.4
|
|
CB
|
B:VAL297
|
4.8
|
7.6
|
1.0
|
|
CG1
|
B:VAL297
|
4.9
|
13.0
|
1.0
|
|
N
|
B:ALA295
|
4.9
|
10.8
|
1.0
|
|
C02
|
A:9UO502
|
4.9
|
24.0
|
0.6
|
|
C10
|
A:9UO502
|
4.9
|
14.8
|
0.4
|
|
CA
|
B:LEU298
|
5.0
|
14.5
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 9 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:18.7
occ:0.57
|
F25
|
A:9UO502
|
0.0
|
18.7
|
0.6
|
|
F25
|
A:9UO502
|
0.1
|
18.7
|
0.4
|
|
C23
|
A:9UO502
|
1.3
|
20.5
|
0.6
|
|
C23
|
A:9UO502
|
1.4
|
20.4
|
0.4
|
|
F26
|
A:9UO502
|
2.2
|
19.1
|
0.6
|
|
F24
|
A:9UO502
|
2.2
|
20.9
|
0.6
|
|
F26
|
A:9UO502
|
2.2
|
19.0
|
0.4
|
|
F24
|
A:9UO502
|
2.2
|
20.8
|
0.4
|
|
C21
|
A:9UO502
|
2.3
|
20.2
|
0.6
|
|
C21
|
A:9UO502
|
2.4
|
20.1
|
0.4
|
|
C22
|
A:9UO502
|
2.9
|
18.6
|
0.6
|
|
C22
|
A:9UO502
|
2.9
|
18.6
|
0.4
|
|
CG1
|
B:VAL297
|
3.5
|
13.0
|
1.0
|
|
CZ2
|
B:TRP164
|
3.5
|
14.6
|
1.0
|
|
N20
|
A:9UO502
|
3.6
|
17.9
|
0.6
|
|
N
|
B:LEU298
|
3.7
|
12.3
|
1.0
|
|
N20
|
A:9UO502
|
3.7
|
17.7
|
0.4
|
|
CA
|
B:LEU298
|
3.8
|
14.5
|
1.0
|
|
O
|
B:VAL294
|
3.9
|
12.5
|
1.0
|
|
CB
|
B:LEU298
|
4.0
|
15.5
|
1.0
|
|
CB
|
B:VAL297
|
4.0
|
7.6
|
1.0
|
|
CH2
|
B:TRP164
|
4.1
|
12.4
|
1.0
|
|
CG
|
B:LEU298
|
4.2
|
19.9
|
1.0
|
|
C
|
B:VAL297
|
4.2
|
12.5
|
1.0
|
|
CD1
|
A:ILE319
|
4.3
|
25.6
|
1.0
|
|
CD2
|
B:LEU298
|
4.3
|
20.9
|
1.0
|
|
C19
|
A:9UO502
|
4.4
|
17.0
|
0.6
|
|
N27
|
A:9UO502
|
4.6
|
16.5
|
0.6
|
|
N27
|
A:9UO502
|
4.6
|
16.6
|
0.4
|
|
C19
|
A:9UO502
|
4.6
|
17.2
|
0.4
|
|
CE2
|
B:TRP164
|
4.6
|
9.8
|
1.0
|
|
O
|
B:VAL297
|
4.8
|
9.9
|
1.0
|
|
CG1
|
B:VAL294
|
4.8
|
18.6
|
1.0
|
|
CA
|
B:VAL297
|
4.8
|
11.9
|
1.0
|
|
C
|
B:VAL294
|
4.9
|
14.1
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 6adi
Go back to
Fluorine Binding Sites List in 6adi
Fluorine binding site 10 out
of 12 in the Crystal Structures of IDH2 R140Q in Complex with Ag-881
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Crystal Structures of IDH2 R140Q in Complex with Ag-881 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:18.7
occ:0.43
|
F25
|
A:9UO502
|
0.0
|
18.7
|
0.4
|
|
F25
|
A:9UO502
|
0.1
|
18.7
|
0.6
|
|
C23
|
A:9UO502
|
1.3
|
20.5
|
0.6
|
|
C23
|
A:9UO502
|
1.3
|
20.4
|
0.4
|
|
F24
|
A:9UO502
|
2.2
|
20.9
|
0.6
|
|
F26
|
A:9UO502
|
2.2
|
19.1
|
0.6
|
|
F26
|
A:9UO502
|
2.2
|
19.0
|
0.4
|
|
F24
|
A:9UO502
|
2.2
|
20.8
|
0.4
|
|
C21
|
A:9UO502
|
2.3
|
20.2
|
0.6
|
|
C21
|
A:9UO502
|
2.4
|
20.1
|
0.4
|
|
C22
|
A:9UO502
|
2.8
|
18.6
|
0.6
|
|
C22
|
A:9UO502
|
2.9
|
18.6
|
0.4
|
|
CG1
|
B:VAL297
|
3.5
|
13.0
|
1.0
|
|
CZ2
|
B:TRP164
|
3.5
|
14.6
|
1.0
|
|
N20
|
A:9UO502
|
3.5
|
17.9
|
0.6
|
|
N20
|
A:9UO502
|
3.7
|
17.7
|
0.4
|
|
N
|
B:LEU298
|
3.8
|
12.3
|
1.0
|
|
CA
|
B:LEU298
|
3.9
|
14.5
|
1.0
|
|
O
|
B:VAL294
|
4.0
|
12.5
|
1.0
|
|
CB
|
B:LEU298
|
4.0
|
15.5
|
1.0
|
|
CB
|
B:VAL297
|
4.0
|
7.6
|
1.0
|
|
CH2
|
B:TRP164
|
4.1
|
12.4
|
1.0
|
|
CG
|
B:LEU298
|
4.2
|
19.9
|
1.0
|
|
CD1
|
A:ILE319
|
4.2
|
25.6
|
1.0
|
|
C
|
B:VAL297
|
4.3
|
12.5
|
1.0
|
|
CD2
|
B:LEU298
|
4.3
|
20.9
|
1.0
|
|
C19
|
A:9UO502
|
4.4
|
17.0
|
0.6
|
|
N27
|
A:9UO502
|
4.5
|
16.5
|
0.6
|
|
N27
|
A:9UO502
|
4.5
|
16.6
|
0.4
|
|
C19
|
A:9UO502
|
4.5
|
17.2
|
0.4
|
|
CE2
|
B:TRP164
|
4.6
|
9.8
|
1.0
|
|
CG1
|
B:VAL294
|
4.7
|
18.6
|
1.0
|
|
O
|
B:VAL297
|
4.8
|
9.9
|
1.0
|
|
CA
|
B:VAL297
|
4.8
|
11.9
|
1.0
|
|
C
|
B:VAL294
|
5.0
|
14.1
|
1.0
|
|
Reference:
R.Ma,
C.H.Yun.
Crystal Structures of Pan-Idh Inhibitor Ag-881 in Complex with Mutant Human IDH1 and IDH2 Biochem. Biophys. Res. V. 503 2912 2018COMMUN..
ISSN: ESSN 1090-2104
PubMed: 30131249
DOI: 10.1016/J.BBRC.2018.08.068
Page generated: Thu Aug 1 17:37:39 2024
|
