Fluorine in PDB 8shc: Pendrin in Complex with Niflumic Acid
Other elements in 8shc:
The structure of Pendrin in Complex with Niflumic Acid 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 Pendrin in Complex with Niflumic Acid
(pdb code 8shc). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Pendrin in Complex with Niflumic Acid, PDB code: 8shc:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 1 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F803
b:16.5
occ:1.00
|
F3
|
D:NFL803
|
0.0
|
16.5
|
1.0
|
C15
|
D:NFL803
|
1.3
|
16.5
|
1.0
|
F2
|
D:NFL803
|
2.1
|
16.5
|
1.0
|
F1
|
D:NFL803
|
2.1
|
16.5
|
1.0
|
C9
|
D:NFL803
|
2.4
|
16.5
|
1.0
|
C10
|
D:NFL803
|
3.1
|
16.5
|
1.0
|
C14
|
D:NFL803
|
3.3
|
16.5
|
1.0
|
CD2
|
D:PHE223
|
3.6
|
10.1
|
1.0
|
CG1
|
D:VAL220
|
3.9
|
10.4
|
1.0
|
CE2
|
D:PHE223
|
4.1
|
10.1
|
1.0
|
CG2
|
D:VAL220
|
4.3
|
10.4
|
1.0
|
O
|
D:VAL220
|
4.3
|
10.4
|
1.0
|
OG1
|
D:THR224
|
4.3
|
12.4
|
1.0
|
C11
|
D:NFL803
|
4.4
|
16.5
|
1.0
|
CA
|
D:VAL220
|
4.4
|
10.4
|
1.0
|
CB
|
D:VAL220
|
4.4
|
10.4
|
1.0
|
CG
|
D:PHE223
|
4.4
|
10.1
|
1.0
|
C13
|
D:NFL803
|
4.5
|
16.5
|
1.0
|
CB
|
D:PHE223
|
4.6
|
10.1
|
1.0
|
C
|
D:VAL220
|
4.8
|
10.4
|
1.0
|
C12
|
D:NFL803
|
4.9
|
16.5
|
1.0
|
N1
|
D:NFL803
|
5.0
|
16.5
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 2 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F803
b:16.5
occ:1.00
|
F1
|
D:NFL803
|
0.0
|
16.5
|
1.0
|
C15
|
D:NFL803
|
1.3
|
16.5
|
1.0
|
F3
|
D:NFL803
|
2.1
|
16.5
|
1.0
|
F2
|
D:NFL803
|
2.1
|
16.5
|
1.0
|
C9
|
D:NFL803
|
2.4
|
16.5
|
1.0
|
C14
|
D:NFL803
|
2.7
|
16.5
|
1.0
|
C10
|
D:NFL803
|
3.6
|
16.5
|
1.0
|
CD1
|
D:LEU215
|
4.0
|
9.3
|
1.0
|
CG2
|
D:VAL359
|
4.1
|
9.6
|
1.0
|
C13
|
D:NFL803
|
4.1
|
16.5
|
1.0
|
CG1
|
D:VAL359
|
4.2
|
9.6
|
1.0
|
CA
|
D:VAL359
|
4.3
|
9.6
|
1.0
|
CB
|
D:ALA362
|
4.3
|
11.0
|
1.0
|
CB
|
D:VAL359
|
4.4
|
9.6
|
1.0
|
O
|
D:VAL359
|
4.5
|
9.6
|
1.0
|
CG2
|
D:VAL220
|
4.6
|
10.4
|
1.0
|
CG1
|
D:ILE363
|
4.7
|
12.4
|
1.0
|
C11
|
D:NFL803
|
4.7
|
16.5
|
1.0
|
CD2
|
D:PHE223
|
4.9
|
10.1
|
1.0
|
C
|
D:VAL359
|
4.9
|
9.6
|
1.0
|
C12
|
D:NFL803
|
4.9
|
16.5
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 3 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F803
b:16.5
occ:1.00
|
F2
|
D:NFL803
|
0.0
|
16.5
|
1.0
|
C15
|
D:NFL803
|
1.3
|
16.5
|
1.0
|
F3
|
D:NFL803
|
2.1
|
16.5
|
1.0
|
F1
|
D:NFL803
|
2.1
|
16.5
|
1.0
|
C9
|
D:NFL803
|
2.4
|
16.5
|
1.0
|
C10
|
D:NFL803
|
2.8
|
16.5
|
1.0
|
CG1
|
D:VAL359
|
3.2
|
9.6
|
1.0
|
C14
|
D:NFL803
|
3.5
|
16.5
|
1.0
|
CD1
|
D:ILE363
|
3.7
|
12.4
|
1.0
|
CG1
|
D:ILE363
|
3.7
|
12.4
|
1.0
|
CE2
|
D:PHE223
|
4.1
|
10.1
|
1.0
|
CB
|
D:VAL359
|
4.2
|
9.6
|
1.0
|
C11
|
D:NFL803
|
4.2
|
16.5
|
1.0
|
CG2
|
D:VAL359
|
4.2
|
9.6
|
1.0
|
CD2
|
D:PHE223
|
4.3
|
10.1
|
1.0
|
O
|
D:VAL359
|
4.4
|
9.6
|
1.0
|
CA
|
D:VAL359
|
4.6
|
9.6
|
1.0
|
C13
|
D:NFL803
|
4.7
|
16.5
|
1.0
|
C
|
D:VAL359
|
4.9
|
9.6
|
1.0
|
N1
|
D:NFL803
|
4.9
|
16.5
|
1.0
|
C12
|
D:NFL803
|
4.9
|
16.5
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 4 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F804
b:32.2
occ:1.00
|
F3
|
D:NFL804
|
0.0
|
32.2
|
1.0
|
C15
|
D:NFL804
|
1.3
|
32.2
|
1.0
|
F2
|
D:NFL804
|
2.1
|
32.2
|
1.0
|
F1
|
D:NFL804
|
2.1
|
32.2
|
1.0
|
C9
|
D:NFL804
|
2.4
|
32.2
|
1.0
|
OE1
|
D:GLU303
|
2.8
|
44.2
|
1.0
|
C14
|
D:NFL804
|
3.1
|
32.2
|
1.0
|
CA
|
D:PRO301
|
3.3
|
56.0
|
1.0
|
C10
|
D:NFL804
|
3.3
|
32.2
|
1.0
|
C
|
D:PRO301
|
3.7
|
56.0
|
1.0
|
CB
|
D:GLU303
|
3.8
|
44.2
|
1.0
|
CB
|
D:PRO301
|
3.8
|
56.0
|
1.0
|
N
|
D:GLU303
|
3.9
|
44.2
|
1.0
|
CD
|
D:GLU303
|
3.9
|
44.2
|
1.0
|
N
|
D:ILE302
|
4.0
|
49.8
|
1.0
|
O
|
D:ILE300
|
4.2
|
67.8
|
1.0
|
N
|
D:VAL304
|
4.3
|
44.9
|
1.0
|
CA
|
D:GLU303
|
4.3
|
44.2
|
1.0
|
C13
|
D:NFL804
|
4.4
|
32.2
|
1.0
|
N
|
D:PRO301
|
4.4
|
56.0
|
1.0
|
CG
|
D:GLU303
|
4.4
|
44.2
|
1.0
|
O
|
D:PRO301
|
4.4
|
56.0
|
1.0
|
CG2
|
D:VAL304
|
4.5
|
44.9
|
1.0
|
C11
|
D:NFL804
|
4.5
|
32.2
|
1.0
|
C
|
D:ILE300
|
4.7
|
67.8
|
1.0
|
C
|
D:GLU303
|
4.8
|
44.2
|
1.0
|
C
|
D:ILE302
|
4.9
|
49.8
|
1.0
|
OE2
|
D:GLU303
|
4.9
|
44.2
|
1.0
|
C12
|
D:NFL804
|
4.9
|
32.2
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 5 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F804
b:32.2
occ:1.00
|
F1
|
D:NFL804
|
0.0
|
32.2
|
1.0
|
C15
|
D:NFL804
|
1.3
|
32.2
|
1.0
|
F3
|
D:NFL804
|
2.1
|
32.2
|
1.0
|
F2
|
D:NFL804
|
2.1
|
32.2
|
1.0
|
C9
|
D:NFL804
|
2.4
|
32.2
|
1.0
|
C10
|
D:NFL804
|
2.7
|
32.2
|
1.0
|
C14
|
D:NFL804
|
3.6
|
32.2
|
1.0
|
CG2
|
D:VAL304
|
3.6
|
44.9
|
1.0
|
CG2
|
D:VAL97
|
3.7
|
24.2
|
1.0
|
CG1
|
D:VAL97
|
4.0
|
24.2
|
1.0
|
C11
|
D:NFL804
|
4.1
|
32.2
|
1.0
|
CB
|
D:GLU303
|
4.2
|
44.2
|
1.0
|
CB
|
D:VAL97
|
4.3
|
24.2
|
1.0
|
OE1
|
D:GLU303
|
4.3
|
44.2
|
1.0
|
N1
|
D:NFL804
|
4.4
|
32.2
|
1.0
|
CA
|
D:VAL97
|
4.5
|
24.2
|
1.0
|
N
|
D:VAL304
|
4.5
|
44.9
|
1.0
|
C13
|
D:NFL804
|
4.7
|
32.2
|
1.0
|
CB
|
D:VAL304
|
4.8
|
44.9
|
1.0
|
CB
|
D:PRO301
|
4.9
|
56.0
|
1.0
|
CA
|
D:PRO301
|
4.9
|
56.0
|
1.0
|
C12
|
D:NFL804
|
4.9
|
32.2
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 6 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F804
b:32.2
occ:1.00
|
F2
|
D:NFL804
|
0.0
|
32.2
|
1.0
|
C15
|
D:NFL804
|
1.3
|
32.2
|
1.0
|
F3
|
D:NFL804
|
2.1
|
32.2
|
1.0
|
F1
|
D:NFL804
|
2.1
|
32.2
|
1.0
|
C9
|
D:NFL804
|
2.4
|
32.2
|
1.0
|
C14
|
D:NFL804
|
2.8
|
32.2
|
1.0
|
CG2
|
D:VAL97
|
3.3
|
24.2
|
1.0
|
C10
|
D:NFL804
|
3.6
|
32.2
|
1.0
|
CB
|
D:PRO301
|
4.1
|
56.0
|
1.0
|
CA
|
D:PRO301
|
4.2
|
56.0
|
1.0
|
C13
|
D:NFL804
|
4.2
|
32.2
|
1.0
|
CG1
|
D:VAL97
|
4.4
|
24.2
|
1.0
|
CB
|
D:VAL97
|
4.4
|
24.2
|
1.0
|
C11
|
D:NFL804
|
4.7
|
32.2
|
1.0
|
OE1
|
D:GLU303
|
4.7
|
44.2
|
1.0
|
CG2
|
D:VAL412
|
4.8
|
28.8
|
1.0
|
CG2
|
D:VAL304
|
4.9
|
44.9
|
1.0
|
CG1
|
D:VAL412
|
4.9
|
28.8
|
1.0
|
C12
|
D:NFL804
|
5.0
|
32.2
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 7 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F817
b:16.6
occ:1.00
|
F3
|
C:NFL817
|
0.0
|
16.6
|
1.0
|
C15
|
C:NFL817
|
1.3
|
16.6
|
1.0
|
F2
|
C:NFL817
|
2.1
|
16.6
|
1.0
|
F1
|
C:NFL817
|
2.1
|
16.6
|
1.0
|
C9
|
C:NFL817
|
2.4
|
16.6
|
1.0
|
C10
|
C:NFL817
|
3.1
|
16.6
|
1.0
|
C14
|
C:NFL817
|
3.3
|
16.6
|
1.0
|
CD2
|
C:PHE223
|
3.6
|
9.9
|
1.0
|
CG1
|
C:VAL220
|
3.9
|
10.4
|
1.0
|
CE2
|
C:PHE223
|
4.1
|
9.9
|
1.0
|
CG2
|
C:VAL220
|
4.3
|
10.4
|
1.0
|
O
|
C:VAL220
|
4.3
|
10.4
|
1.0
|
OG1
|
C:THR224
|
4.3
|
12.3
|
1.0
|
C11
|
C:NFL817
|
4.4
|
16.6
|
1.0
|
CA
|
C:VAL220
|
4.4
|
10.4
|
1.0
|
CB
|
C:VAL220
|
4.4
|
10.4
|
1.0
|
CG
|
C:PHE223
|
4.4
|
9.9
|
1.0
|
C13
|
C:NFL817
|
4.5
|
16.6
|
1.0
|
CB
|
C:PHE223
|
4.6
|
9.9
|
1.0
|
C
|
C:VAL220
|
4.8
|
10.4
|
1.0
|
C12
|
C:NFL817
|
4.9
|
16.6
|
1.0
|
N1
|
C:NFL817
|
5.0
|
16.6
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 8 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F817
b:16.6
occ:1.00
|
F1
|
C:NFL817
|
0.0
|
16.6
|
1.0
|
C15
|
C:NFL817
|
1.3
|
16.6
|
1.0
|
F3
|
C:NFL817
|
2.1
|
16.6
|
1.0
|
F2
|
C:NFL817
|
2.1
|
16.6
|
1.0
|
C9
|
C:NFL817
|
2.4
|
16.6
|
1.0
|
C14
|
C:NFL817
|
2.7
|
16.6
|
1.0
|
C10
|
C:NFL817
|
3.6
|
16.6
|
1.0
|
CD1
|
C:LEU215
|
4.0
|
9.4
|
1.0
|
CG2
|
C:VAL359
|
4.1
|
9.5
|
1.0
|
C13
|
C:NFL817
|
4.1
|
16.6
|
1.0
|
CG1
|
C:VAL359
|
4.2
|
9.5
|
1.0
|
CA
|
C:VAL359
|
4.3
|
9.5
|
1.0
|
CB
|
C:ALA362
|
4.3
|
11.0
|
1.0
|
CB
|
C:VAL359
|
4.4
|
9.5
|
1.0
|
O
|
C:VAL359
|
4.5
|
9.5
|
1.0
|
CG2
|
C:VAL220
|
4.6
|
10.4
|
1.0
|
CG1
|
C:ILE363
|
4.7
|
12.4
|
1.0
|
C11
|
C:NFL817
|
4.7
|
16.6
|
1.0
|
CD2
|
C:PHE223
|
4.9
|
9.9
|
1.0
|
C
|
C:VAL359
|
4.9
|
9.5
|
1.0
|
C12
|
C:NFL817
|
4.9
|
16.6
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 9 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F817
b:16.6
occ:1.00
|
F2
|
C:NFL817
|
0.0
|
16.6
|
1.0
|
C15
|
C:NFL817
|
1.3
|
16.6
|
1.0
|
F3
|
C:NFL817
|
2.1
|
16.6
|
1.0
|
F1
|
C:NFL817
|
2.1
|
16.6
|
1.0
|
C9
|
C:NFL817
|
2.4
|
16.6
|
1.0
|
C10
|
C:NFL817
|
2.8
|
16.6
|
1.0
|
CG1
|
C:VAL359
|
3.2
|
9.5
|
1.0
|
C14
|
C:NFL817
|
3.5
|
16.6
|
1.0
|
CD1
|
C:ILE363
|
3.7
|
12.4
|
1.0
|
CG1
|
C:ILE363
|
3.7
|
12.4
|
1.0
|
CE2
|
C:PHE223
|
4.1
|
9.9
|
1.0
|
CB
|
C:VAL359
|
4.2
|
9.5
|
1.0
|
CG2
|
C:VAL359
|
4.2
|
9.5
|
1.0
|
C11
|
C:NFL817
|
4.2
|
16.6
|
1.0
|
CD2
|
C:PHE223
|
4.3
|
9.9
|
1.0
|
O
|
C:VAL359
|
4.4
|
9.5
|
1.0
|
CA
|
C:VAL359
|
4.6
|
9.5
|
1.0
|
C13
|
C:NFL817
|
4.7
|
16.6
|
1.0
|
C
|
C:VAL359
|
4.9
|
9.5
|
1.0
|
N1
|
C:NFL817
|
4.9
|
16.6
|
1.0
|
C12
|
C:NFL817
|
4.9
|
16.6
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 8shc
Go back to
Fluorine Binding Sites List in 8shc
Fluorine binding site 10 out
of 12 in the Pendrin in Complex with Niflumic Acid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Pendrin in Complex with Niflumic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F818
b:32.4
occ:1.00
|
F3
|
C:NFL818
|
0.0
|
32.4
|
1.0
|
C15
|
C:NFL818
|
1.3
|
32.4
|
1.0
|
F2
|
C:NFL818
|
2.1
|
32.4
|
1.0
|
F1
|
C:NFL818
|
2.1
|
32.4
|
1.0
|
C9
|
C:NFL818
|
2.4
|
32.4
|
1.0
|
OE1
|
C:GLU303
|
2.8
|
44.2
|
1.0
|
C14
|
C:NFL818
|
3.1
|
32.4
|
1.0
|
CA
|
C:PRO301
|
3.3
|
55.9
|
1.0
|
C10
|
C:NFL818
|
3.3
|
32.4
|
1.0
|
C
|
C:PRO301
|
3.7
|
55.9
|
1.0
|
CB
|
C:GLU303
|
3.8
|
44.2
|
1.0
|
CB
|
C:PRO301
|
3.8
|
55.9
|
1.0
|
N
|
C:GLU303
|
3.9
|
44.2
|
1.0
|
CD
|
C:GLU303
|
3.9
|
44.2
|
1.0
|
N
|
C:ILE302
|
4.0
|
49.6
|
1.0
|
O
|
C:ILE300
|
4.2
|
67.7
|
1.0
|
N
|
C:VAL304
|
4.3
|
45.0
|
1.0
|
CA
|
C:GLU303
|
4.3
|
44.2
|
1.0
|
C13
|
C:NFL818
|
4.4
|
32.4
|
1.0
|
N
|
C:PRO301
|
4.4
|
55.9
|
1.0
|
CG
|
C:GLU303
|
4.4
|
44.2
|
1.0
|
O
|
C:PRO301
|
4.4
|
55.9
|
1.0
|
CG2
|
C:VAL304
|
4.5
|
45.0
|
1.0
|
C11
|
C:NFL818
|
4.5
|
32.4
|
1.0
|
C
|
C:ILE300
|
4.7
|
67.7
|
1.0
|
C
|
C:GLU303
|
4.8
|
44.2
|
1.0
|
C
|
C:ILE302
|
4.9
|
49.6
|
1.0
|
OE2
|
C:GLU303
|
4.9
|
44.2
|
1.0
|
C12
|
C:NFL818
|
4.9
|
32.4
|
1.0
|
|
Reference:
L.Wang,
A.Hoang,
M.Zhou.
Pendrin in Complex with Niflumic Acid To Be Published.
Page generated: Fri Aug 2 23:18:49 2024
|