Fluorine in PDB 6sd7: Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
Enzymatic activity of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer:
4.2.1.1;
Protein crystallography data
The structure of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer, PDB code: 6sd7
was solved by
S.Gloeckner,
A.Heine,
G.Klebe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
23.75 /
1.05
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
42.274,
41.376,
72.249,
90.00,
104.73,
90.00
|
|
R / Rfree (%)
|
12.4 /
13.9
|
Other elements in 6sd7:
The structure of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Fluorine atom in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
(pdb code 6sd7). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 14 binding sites of Fluorine where determined in the
Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer, PDB code: 6sd7:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 14 in 6sd7
Go back to
Fluorine Binding Sites List in 6sd7
Fluorine binding site 1 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F304
b:14.3
occ:1.00
|
F
|
A:L7T304
|
0.0
|
14.3
|
1.0
|
|
C1
|
A:L7T304
|
1.3
|
12.3
|
1.0
|
|
C2
|
A:L7T304
|
2.3
|
16.3
|
1.0
|
|
C
|
A:L7T304
|
2.4
|
9.9
|
1.0
|
|
F1
|
A:L7T304
|
2.7
|
19.1
|
1.0
|
|
N
|
A:L7T304
|
2.7
|
8.0
|
1.0
|
|
HG1
|
A:THR200
|
2.8
|
15.4
|
1.0
|
|
HG23
|
A:THR200
|
2.8
|
12.6
|
1.0
|
|
HG21
|
A:THR200
|
3.0
|
12.6
|
1.0
|
|
OG1
|
A:THR200
|
3.1
|
12.9
|
1.0
|
|
S
|
A:L7T304
|
3.1
|
7.4
|
1.0
|
|
CG2
|
A:THR200
|
3.3
|
10.6
|
1.0
|
|
NE2
|
A:HIS94
|
3.4
|
6.9
|
1.0
|
|
ZN
|
A:ZN301
|
3.5
|
6.5
|
1.0
|
|
C3
|
A:L7T304
|
3.6
|
18.0
|
1.0
|
|
HE1
|
A:HIS94
|
3.6
|
8.4
|
1.0
|
|
C5
|
A:L7T304
|
3.6
|
12.3
|
1.0
|
|
CE1
|
A:HIS94
|
3.7
|
7.0
|
1.0
|
|
CB
|
A:THR200
|
3.8
|
10.4
|
1.0
|
|
HE1
|
A:HIS96
|
3.8
|
9.3
|
1.0
|
|
O1
|
A:L7T304
|
4.0
|
8.2
|
1.0
|
|
O
|
A:L7T304
|
4.0
|
8.6
|
1.0
|
|
C4
|
A:L7T304
|
4.1
|
15.8
|
1.0
|
|
HG22
|
A:THR200
|
4.2
|
12.6
|
1.0
|
|
H
|
A:THR200
|
4.2
|
9.7
|
1.0
|
|
CD2
|
A:HIS94
|
4.2
|
6.9
|
1.0
|
|
NE2
|
A:HIS96
|
4.4
|
7.0
|
1.0
|
|
CE1
|
A:HIS96
|
4.4
|
7.8
|
1.0
|
|
OG1
|
A:THR199
|
4.4
|
7.0
|
1.0
|
|
HB
|
A:THR200
|
4.4
|
12.4
|
1.0
|
|
H
|
A:THR199
|
4.5
|
8.4
|
1.0
|
|
ND1
|
A:HIS94
|
4.5
|
7.1
|
1.0
|
|
N
|
A:THR200
|
4.6
|
8.1
|
1.0
|
|
HD2
|
A:HIS94
|
4.6
|
8.2
|
1.0
|
|
HG1
|
A:THR199
|
4.7
|
8.3
|
1.0
|
|
F2
|
A:L7T304
|
4.7
|
23.4
|
1.0
|
|
F4
|
A:L7T304
|
4.8
|
14.5
|
1.0
|
|
O
|
A:HOH521
|
4.8
|
14.6
|
1.0
|
|
CA
|
A:THR200
|
4.8
|
8.9
|
1.0
|
|
CG
|
A:HIS94
|
4.9
|
6.9
|
1.0
|
|
HE22
|
A:GLN92
|
4.9
|
18.3
|
1.0
|
|
HB3
|
A:LEU198
|
5.0
|
9.8
|
1.0
|
|
Fluorine binding site 2 out
of 14 in 6sd7
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Fluorine Binding Sites List in 6sd7
Fluorine binding site 2 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F304
b:19.1
occ:1.00
|
F1
|
A:L7T304
|
0.0
|
19.1
|
1.0
|
|
C2
|
A:L7T304
|
1.3
|
16.3
|
1.0
|
|
C1
|
A:L7T304
|
2.4
|
12.3
|
1.0
|
|
C3
|
A:L7T304
|
2.4
|
18.0
|
1.0
|
|
HG1
|
A:THR200
|
2.5
|
15.4
|
1.0
|
|
F
|
A:L7T304
|
2.7
|
14.3
|
1.0
|
|
F2
|
A:L7T304
|
2.7
|
23.4
|
1.0
|
|
OG1
|
A:THR200
|
3.2
|
12.9
|
1.0
|
|
C4
|
A:L7T304
|
3.6
|
15.8
|
1.0
|
|
C
|
A:L7T304
|
3.6
|
9.9
|
1.0
|
|
HG21
|
A:THR200
|
3.7
|
12.6
|
1.0
|
|
HE22
|
A:GLN92
|
4.0
|
18.3
|
1.0
|
|
C5
|
A:L7T304
|
4.1
|
12.3
|
1.0
|
|
CB
|
A:THR200
|
4.2
|
10.4
|
1.0
|
|
CG2
|
A:THR200
|
4.3
|
10.6
|
1.0
|
|
HB
|
A:THR200
|
4.3
|
12.4
|
1.0
|
|
HG23
|
A:THR200
|
4.5
|
12.6
|
1.0
|
|
HE21
|
A:GLN92
|
4.5
|
18.3
|
1.0
|
|
NE2
|
A:GLN92
|
4.6
|
15.3
|
1.0
|
|
F3
|
A:L7T304
|
4.7
|
19.8
|
1.0
|
|
HE1
|
A:HIS94
|
4.9
|
8.4
|
1.0
|
|
HD21
|
A:ASN62
|
4.9
|
25.8
|
1.0
|
|
CE1
|
A:HIS94
|
5.0
|
7.0
|
1.0
|
|
HD21
|
A:ASN67
|
5.0
|
23.0
|
1.0
|
|
Fluorine binding site 3 out
of 14 in 6sd7
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Fluorine Binding Sites List in 6sd7
Fluorine binding site 3 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F304
b:23.4
occ:1.00
|
F2
|
A:L7T304
|
0.0
|
23.4
|
1.0
|
|
C3
|
A:L7T304
|
1.3
|
18.0
|
1.0
|
|
C4
|
A:L7T304
|
2.3
|
15.8
|
1.0
|
|
C2
|
A:L7T304
|
2.4
|
16.3
|
1.0
|
|
F3
|
A:L7T304
|
2.7
|
19.8
|
1.0
|
|
F1
|
A:L7T304
|
2.7
|
19.1
|
1.0
|
|
C5
|
A:L7T304
|
3.6
|
12.3
|
1.0
|
|
HZ
|
A:PHE131
|
3.6
|
18.8
|
1.0
|
|
C1
|
A:L7T304
|
3.6
|
12.3
|
1.0
|
|
HE21
|
A:GLN92
|
3.8
|
18.3
|
1.0
|
|
C
|
A:L7T304
|
4.1
|
9.9
|
1.0
|
|
HE22
|
A:GLN92
|
4.2
|
18.3
|
1.0
|
|
HD22
|
A:LEU198
|
4.2
|
17.6
|
1.0
|
|
NE2
|
A:GLN92
|
4.2
|
15.3
|
1.0
|
|
HD13
|
A:LEU198
|
4.3
|
17.0
|
1.0
|
|
CZ
|
A:PHE131
|
4.3
|
15.8
|
1.0
|
|
HG1
|
A:THR200
|
4.4
|
15.4
|
1.0
|
|
F4
|
A:L7T304
|
4.7
|
14.5
|
1.0
|
|
F
|
A:L7T304
|
4.7
|
14.3
|
1.0
|
|
HG11
|
A:VAL121
|
4.7
|
9.9
|
1.0
|
|
HE2
|
A:PHE131
|
4.9
|
20.1
|
1.0
|
|
HG21
|
A:VAL121
|
4.9
|
10.0
|
1.0
|
|
OG1
|
A:THR200
|
4.9
|
12.9
|
1.0
|
|
HE1
|
A:PHE131
|
5.0
|
15.8
|
1.0
|
|
Fluorine binding site 4 out
of 14 in 6sd7
Go back to
Fluorine Binding Sites List in 6sd7
Fluorine binding site 4 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F304
b:19.8
occ:1.00
|
F3
|
A:L7T304
|
0.0
|
19.8
|
1.0
|
|
C4
|
A:L7T304
|
1.3
|
15.8
|
1.0
|
|
C5
|
A:L7T304
|
2.3
|
12.3
|
1.0
|
|
C3
|
A:L7T304
|
2.4
|
18.0
|
1.0
|
|
HG11
|
A:VAL121
|
2.6
|
9.9
|
1.0
|
|
F4
|
A:L7T304
|
2.7
|
14.5
|
1.0
|
|
HZ
|
A:PHE131
|
2.7
|
18.8
|
1.0
|
|
F2
|
A:L7T304
|
2.7
|
23.4
|
1.0
|
|
HD22
|
A:LEU198
|
2.9
|
17.6
|
1.0
|
|
HE1
|
A:PHE131
|
3.1
|
15.8
|
1.0
|
|
CZ
|
A:PHE131
|
3.4
|
15.8
|
1.0
|
|
HD13
|
A:LEU141
|
3.5
|
12.8
|
1.0
|
|
CG1
|
A:VAL121
|
3.5
|
8.3
|
1.0
|
|
HD21
|
A:LEU198
|
3.5
|
17.6
|
1.0
|
|
CE1
|
A:PHE131
|
3.6
|
13.2
|
1.0
|
|
C2
|
A:L7T304
|
3.6
|
16.3
|
1.0
|
|
C
|
A:L7T304
|
3.6
|
9.9
|
1.0
|
|
CD2
|
A:LEU198
|
3.6
|
14.7
|
1.0
|
|
HG21
|
A:VAL121
|
3.7
|
10.0
|
1.0
|
|
HG13
|
A:VAL121
|
3.7
|
9.9
|
1.0
|
|
HD11
|
A:LEU141
|
3.8
|
12.8
|
1.0
|
|
HG12
|
A:VAL121
|
4.0
|
9.9
|
1.0
|
|
HD23
|
A:LEU198
|
4.1
|
17.6
|
1.0
|
|
CD1
|
A:LEU141
|
4.1
|
10.7
|
1.0
|
|
C1
|
A:L7T304
|
4.1
|
12.3
|
1.0
|
|
CG2
|
A:VAL121
|
4.4
|
8.4
|
1.0
|
|
HD13
|
A:LEU198
|
4.4
|
17.0
|
1.0
|
|
HG22
|
A:VAL121
|
4.5
|
10.0
|
1.0
|
|
CB
|
A:VAL121
|
4.5
|
7.5
|
1.0
|
|
HD12
|
A:LEU141
|
4.5
|
12.8
|
1.0
|
|
HD11
|
A:LEU198
|
4.6
|
17.0
|
1.0
|
|
CE2
|
A:PHE131
|
4.6
|
16.8
|
1.0
|
|
F1
|
A:L7T304
|
4.7
|
19.1
|
1.0
|
|
HE21
|
A:GLN92
|
4.8
|
18.3
|
1.0
|
|
CD1
|
A:LEU198
|
4.8
|
14.2
|
1.0
|
|
CG
|
A:LEU198
|
4.8
|
12.7
|
1.0
|
|
HB
|
A:VAL121
|
4.8
|
8.9
|
1.0
|
|
HE2
|
A:PHE131
|
4.9
|
20.1
|
1.0
|
|
CD1
|
A:PHE131
|
5.0
|
11.8
|
1.0
|
|
Fluorine binding site 5 out
of 14 in 6sd7
Go back to
Fluorine Binding Sites List in 6sd7
Fluorine binding site 5 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F304
b:14.5
occ:1.00
|
F4
|
A:L7T304
|
0.0
|
14.5
|
1.0
|
|
C5
|
A:L7T304
|
1.3
|
12.3
|
1.0
|
|
C4
|
A:L7T304
|
2.3
|
15.8
|
1.0
|
|
C
|
A:L7T304
|
2.4
|
9.9
|
1.0
|
|
F3
|
A:L7T304
|
2.7
|
19.8
|
1.0
|
|
HD22
|
A:LEU198
|
2.7
|
17.6
|
1.0
|
|
O1
|
A:L7T304
|
2.9
|
8.2
|
1.0
|
|
S
|
A:L7T304
|
3.0
|
7.4
|
1.0
|
|
HD23
|
A:LEU198
|
3.0
|
17.6
|
1.0
|
|
HG21
|
A:VAL143
|
3.0
|
9.7
|
1.0
|
|
O
|
A:L7T304
|
3.1
|
8.6
|
1.0
|
|
HG22
|
A:VAL121
|
3.2
|
10.0
|
1.0
|
|
CD2
|
A:LEU198
|
3.2
|
14.7
|
1.0
|
|
HG11
|
A:VAL121
|
3.3
|
9.9
|
1.0
|
|
HG21
|
A:VAL121
|
3.3
|
10.0
|
1.0
|
|
HG13
|
A:VAL121
|
3.4
|
9.9
|
1.0
|
|
HG22
|
A:VAL143
|
3.5
|
9.7
|
1.0
|
|
HD13
|
A:LEU141
|
3.5
|
12.8
|
1.0
|
|
HD21
|
A:LEU198
|
3.6
|
17.6
|
1.0
|
|
C3
|
A:L7T304
|
3.6
|
18.0
|
1.0
|
|
CG2
|
A:VAL143
|
3.6
|
8.2
|
1.0
|
|
C1
|
A:L7T304
|
3.6
|
12.3
|
1.0
|
|
CG2
|
A:VAL121
|
3.7
|
8.4
|
1.0
|
|
CG1
|
A:VAL121
|
3.7
|
8.3
|
1.0
|
|
HG23
|
A:VAL143
|
4.0
|
9.7
|
1.0
|
|
HA
|
A:LEU198
|
4.0
|
8.7
|
1.0
|
|
HE1
|
A:HIS94
|
4.1
|
8.4
|
1.0
|
|
C2
|
A:L7T304
|
4.1
|
16.3
|
1.0
|
|
CB
|
A:VAL121
|
4.3
|
7.5
|
1.0
|
|
HG21
|
A:VAL207
|
4.3
|
10.0
|
1.0
|
|
CD1
|
A:LEU141
|
4.3
|
10.7
|
1.0
|
|
HD12
|
A:LEU141
|
4.4
|
12.8
|
1.0
|
|
HG23
|
A:VAL121
|
4.5
|
10.0
|
1.0
|
|
N
|
A:L7T304
|
4.5
|
8.0
|
1.0
|
|
HG11
|
A:VAL143
|
4.5
|
9.2
|
1.0
|
|
CG
|
A:LEU198
|
4.6
|
12.7
|
1.0
|
|
HG12
|
A:VAL121
|
4.6
|
9.9
|
1.0
|
|
HD11
|
A:LEU141
|
4.6
|
12.8
|
1.0
|
|
HG22
|
A:VAL207
|
4.6
|
10.0
|
1.0
|
|
HB3
|
A:LEU198
|
4.6
|
9.8
|
1.0
|
|
F2
|
A:L7T304
|
4.7
|
23.4
|
1.0
|
|
F
|
A:L7T304
|
4.8
|
14.3
|
1.0
|
|
CA
|
A:LEU198
|
4.9
|
7.3
|
1.0
|
|
HA
|
A:VAL121
|
4.9
|
8.0
|
1.0
|
|
CB
|
A:LEU198
|
4.9
|
8.2
|
1.0
|
|
CB
|
A:VAL143
|
4.9
|
7.1
|
1.0
|
|
CG2
|
A:VAL207
|
5.0
|
8.3
|
1.0
|
|
CE1
|
A:HIS94
|
5.0
|
7.0
|
1.0
|
|
Fluorine binding site 6 out
of 14 in 6sd7
Go back to
Fluorine Binding Sites List in 6sd7
Fluorine binding site 6 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:14.0
occ:1.00
|
F
|
A:SXG305
|
0.0
|
14.0
|
1.0
|
|
C1
|
A:SXG305
|
1.3
|
11.6
|
1.0
|
|
C2
|
A:SXG305
|
2.3
|
11.8
|
1.0
|
|
HB3
|
A:HIS15
|
2.3
|
12.3
|
1.0
|
|
C
|
A:SXG305
|
2.4
|
11.0
|
1.0
|
|
F1
|
A:SXG305
|
2.7
|
14.0
|
1.0
|
|
O1
|
A:SXG305
|
2.8
|
13.1
|
1.0
|
|
HA
|
A:ASN11
|
2.8
|
14.6
|
1.0
|
|
S
|
A:SXG305
|
3.0
|
11.5
|
1.0
|
|
HZ1
|
A:LYS18
|
3.1
|
13.9
|
1.0
|
|
CB
|
A:HIS15
|
3.1
|
10.3
|
1.0
|
|
HB2
|
A:HIS15
|
3.2
|
12.3
|
1.0
|
|
N
|
A:SXG305
|
3.4
|
11.6
|
1.0
|
|
HE3
|
A:LYS18
|
3.5
|
13.2
|
1.0
|
|
CG
|
A:HIS15
|
3.6
|
12.5
|
1.0
|
|
C3
|
A:SXG305
|
3.6
|
11.6
|
1.0
|
|
O
|
A:HIS10
|
3.6
|
16.5
|
1.0
|
|
C11
|
A:SXG305
|
3.6
|
12.6
|
1.0
|
|
ND1
|
A:HIS15
|
3.7
|
14.3
|
1.0
|
|
CA
|
A:ASN11
|
3.7
|
12.2
|
1.0
|
|
HB2
|
A:ASN11
|
3.8
|
16.6
|
1.0
|
|
NZ
|
A:LYS18
|
3.9
|
11.6
|
1.0
|
|
HB3
|
A:ASN11
|
4.0
|
16.6
|
1.0
|
|
CB
|
A:ASN11
|
4.1
|
13.9
|
1.0
|
|
C10
|
A:SXG305
|
4.1
|
13.1
|
1.0
|
|
O
|
A:HIS15
|
4.1
|
9.5
|
1.0
|
|
CE
|
A:LYS18
|
4.2
|
11.1
|
1.0
|
|
HZ2
|
A:LYS18
|
4.3
|
13.9
|
1.0
|
|
O
|
A:SXG305
|
4.4
|
12.9
|
1.0
|
|
CA
|
A:HIS15
|
4.4
|
9.6
|
1.0
|
|
C
|
A:HIS15
|
4.4
|
9.5
|
1.0
|
|
HZ3
|
A:LYS18
|
4.5
|
13.9
|
1.0
|
|
C
|
A:ASN11
|
4.5
|
10.7
|
1.0
|
|
C
|
A:HIS10
|
4.5
|
13.6
|
1.0
|
|
F2
|
A:SXG305
|
4.6
|
17.4
|
1.0
|
|
CD2
|
A:HIS15
|
4.6
|
15.0
|
1.0
|
|
HE2
|
A:LYS18
|
4.6
|
13.2
|
1.0
|
|
N
|
A:ASN11
|
4.6
|
11.3
|
1.0
|
|
CE1
|
A:HIS15
|
4.7
|
16.6
|
1.0
|
|
O
|
A:ASN11
|
4.7
|
10.9
|
1.0
|
|
HA
|
A:HIS15
|
4.7
|
11.4
|
1.0
|
|
N1
|
A:SXG305
|
4.7
|
11.8
|
1.0
|
|
F8
|
A:SXG305
|
4.8
|
15.4
|
1.0
|
|
HB2
|
A:LYS18
|
4.8
|
12.5
|
1.0
|
|
O
|
A:HOH418
|
4.8
|
24.9
|
1.0
|
|
HD1
|
A:TRP16
|
4.9
|
10.4
|
1.0
|
|
HA
|
A:TRP5
|
4.9
|
14.5
|
1.0
|
|
Fluorine binding site 7 out
of 14 in 6sd7
Go back to
Fluorine Binding Sites List in 6sd7
Fluorine binding site 7 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:14.0
occ:1.00
|
F1
|
A:SXG305
|
0.0
|
14.0
|
1.0
|
|
C2
|
A:SXG305
|
1.3
|
11.8
|
1.0
|
|
C1
|
A:SXG305
|
2.3
|
11.6
|
1.0
|
|
C3
|
A:SXG305
|
2.4
|
11.6
|
1.0
|
|
F
|
A:SXG305
|
2.7
|
14.0
|
1.0
|
|
N1
|
A:SXG305
|
2.7
|
11.8
|
1.0
|
|
O
|
A:HOH418
|
3.0
|
24.9
|
1.0
|
|
O
|
A:HIS10
|
3.2
|
16.5
|
1.0
|
|
F2
|
A:SXG305
|
3.3
|
17.4
|
1.0
|
|
C10
|
A:SXG305
|
3.6
|
13.1
|
1.0
|
|
C
|
A:SXG305
|
3.6
|
11.0
|
1.0
|
|
C5
|
A:SXG305
|
3.6
|
16.5
|
1.0
|
|
HZ1
|
A:LYS18
|
3.7
|
13.9
|
1.0
|
|
C4
|
A:SXG305
|
3.9
|
15.1
|
1.0
|
|
S1
|
A:SXG305
|
4.0
|
13.6
|
1.0
|
|
HB3
|
A:ASN11
|
4.0
|
16.6
|
1.0
|
|
HA
|
A:ASN11
|
4.0
|
14.6
|
1.0
|
|
C11
|
A:SXG305
|
4.1
|
12.6
|
1.0
|
|
C
|
A:HIS10
|
4.3
|
13.6
|
1.0
|
|
HZ2
|
A:LYS18
|
4.4
|
13.9
|
1.0
|
|
C6
|
A:SXG305
|
4.4
|
18.3
|
1.0
|
|
NZ
|
A:LYS18
|
4.4
|
11.6
|
1.0
|
|
HB3
|
A:HIS15
|
4.6
|
12.3
|
1.0
|
|
CB
|
A:ASN11
|
4.6
|
13.9
|
1.0
|
|
ND1
|
A:HIS15
|
4.6
|
14.3
|
1.0
|
|
O3
|
A:SXG305
|
4.7
|
15.4
|
1.0
|
|
HB2
|
A:ASN11
|
4.7
|
16.6
|
1.0
|
|
CA
|
A:ASN11
|
4.7
|
12.2
|
1.0
|
|
F7
|
A:SXG305
|
4.7
|
14.7
|
1.0
|
|
HB3
|
A:HIS10
|
4.7
|
18.3
|
1.0
|
|
F3
|
A:SXG305
|
4.8
|
19.5
|
1.0
|
|
C9
|
A:SXG305
|
4.8
|
15.6
|
1.0
|
|
HZ3
|
A:LYS18
|
4.9
|
13.9
|
1.0
|
|
O2
|
A:SXG305
|
5.0
|
14.5
|
1.0
|
|
Fluorine binding site 8 out
of 14 in 6sd7
Go back to
Fluorine Binding Sites List in 6sd7
Fluorine binding site 8 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:17.4
occ:1.00
|
F2
|
A:SXG305
|
0.0
|
17.4
|
1.0
|
|
C5
|
A:SXG305
|
1.3
|
16.5
|
1.0
|
|
C6
|
A:SXG305
|
2.3
|
18.3
|
1.0
|
|
C4
|
A:SXG305
|
2.4
|
15.1
|
1.0
|
|
HB3
|
A:ASN11
|
2.5
|
16.6
|
1.0
|
|
F3
|
A:SXG305
|
2.7
|
19.5
|
1.0
|
|
O3
|
A:SXG305
|
2.9
|
15.4
|
1.0
|
|
S1
|
A:SXG305
|
3.0
|
13.6
|
1.0
|
|
C3
|
A:SXG305
|
3.0
|
11.6
|
1.0
|
|
C2
|
A:SXG305
|
3.1
|
11.8
|
1.0
|
|
N1
|
A:SXG305
|
3.2
|
11.8
|
1.0
|
|
F1
|
A:SXG305
|
3.3
|
14.0
|
1.0
|
|
CB
|
A:ASN11
|
3.4
|
13.9
|
1.0
|
|
HD22
|
A:ASN11
|
3.5
|
23.1
|
1.0
|
|
HB2
|
A:ASN11
|
3.5
|
16.6
|
1.0
|
|
O
|
A:HIS4
|
3.5
|
21.8
|
1.0
|
|
C7
|
A:SXG305
|
3.6
|
18.7
|
1.0
|
|
C9
|
A:SXG305
|
3.6
|
15.6
|
1.0
|
|
C10
|
A:SXG305
|
3.7
|
13.1
|
1.0
|
|
HB3
|
A:HIS4
|
3.8
|
27.9
|
1.0
|
|
C1
|
A:SXG305
|
3.8
|
11.6
|
1.0
|
|
ND2
|
A:ASN11
|
4.0
|
19.3
|
1.0
|
|
C8
|
A:SXG305
|
4.1
|
17.1
|
1.0
|
|
O
|
A:HIS10
|
4.1
|
16.5
|
1.0
|
|
CG
|
A:ASN11
|
4.1
|
15.9
|
1.0
|
|
C11
|
A:SXG305
|
4.3
|
12.6
|
1.0
|
|
F7
|
A:SXG305
|
4.3
|
14.7
|
1.0
|
|
O2
|
A:SXG305
|
4.3
|
14.5
|
1.0
|
|
HA
|
A:ASN11
|
4.4
|
14.6
|
1.0
|
|
C
|
A:SXG305
|
4.4
|
11.0
|
1.0
|
|
CA
|
A:ASN11
|
4.5
|
12.2
|
1.0
|
|
F
|
A:SXG305
|
4.6
|
14.0
|
1.0
|
|
C
|
A:HIS4
|
4.6
|
17.4
|
1.0
|
|
C
|
A:HIS10
|
4.7
|
13.6
|
1.0
|
|
F4
|
A:SXG305
|
4.7
|
21.8
|
1.0
|
|
HD21
|
A:ASN11
|
4.7
|
23.1
|
1.0
|
|
CB
|
A:HIS4
|
4.7
|
23.3
|
1.0
|
|
F6
|
A:SXG305
|
4.7
|
17.6
|
1.0
|
|
HD1
|
A:HIS4
|
4.8
|
34.7
|
1.0
|
|
N
|
A:ASN11
|
4.9
|
11.3
|
1.0
|
|
O
|
A:HOH418
|
4.9
|
24.9
|
1.0
|
|
HB3
|
A:HIS10
|
4.9
|
18.3
|
1.0
|
|
Fluorine binding site 9 out
of 14 in 6sd7
Go back to
Fluorine Binding Sites List in 6sd7
Fluorine binding site 9 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:19.5
occ:1.00
|
F3
|
A:SXG305
|
0.0
|
19.5
|
1.0
|
|
C6
|
A:SXG305
|
1.3
|
18.3
|
1.0
|
|
C7
|
A:SXG305
|
2.4
|
18.7
|
1.0
|
|
C5
|
A:SXG305
|
2.4
|
16.5
|
1.0
|
|
HB3
|
A:ASN11
|
2.6
|
16.6
|
1.0
|
|
F2
|
A:SXG305
|
2.7
|
17.4
|
1.0
|
|
F4
|
A:SXG305
|
2.7
|
21.8
|
1.0
|
|
HB2
|
A:HIS10
|
2.8
|
18.3
|
1.0
|
|
HB3
|
A:HIS10
|
3.3
|
18.3
|
1.0
|
|
CB
|
A:ASN11
|
3.4
|
13.9
|
1.0
|
|
CB
|
A:HIS10
|
3.4
|
15.3
|
1.0
|
|
CG
|
A:ASN11
|
3.5
|
15.9
|
1.0
|
|
C
|
A:HIS10
|
3.6
|
13.6
|
1.0
|
|
C8
|
A:SXG305
|
3.6
|
17.1
|
1.0
|
|
HD22
|
A:ASN11
|
3.6
|
23.1
|
1.0
|
|
ND2
|
A:ASN11
|
3.6
|
19.3
|
1.0
|
|
C4
|
A:SXG305
|
3.6
|
15.1
|
1.0
|
|
O
|
A:HIS10
|
3.7
|
16.5
|
1.0
|
|
N
|
A:ASN11
|
3.8
|
11.3
|
1.0
|
|
OD1
|
A:ASN11
|
4.0
|
16.4
|
1.0
|
|
CA
|
A:HIS10
|
4.1
|
13.6
|
1.0
|
|
HD21
|
A:ASN11
|
4.1
|
23.1
|
1.0
|
|
HB2
|
A:ASN11
|
4.1
|
16.6
|
1.0
|
|
C9
|
A:SXG305
|
4.1
|
15.6
|
1.0
|
|
H
|
A:ASN11
|
4.1
|
13.5
|
1.0
|
|
CA
|
A:ASN11
|
4.2
|
12.2
|
1.0
|
|
H
|
A:HIS10
|
4.5
|
16.4
|
1.0
|
|
HA
|
A:ASN11
|
4.5
|
14.6
|
1.0
|
|
F5
|
A:SXG305
|
4.7
|
18.2
|
1.0
|
|
CG
|
A:HIS10
|
4.7
|
16.6
|
1.0
|
|
O
|
A:HOH418
|
4.8
|
24.9
|
1.0
|
|
F1
|
A:SXG305
|
4.8
|
14.0
|
1.0
|
|
N
|
A:HIS10
|
4.8
|
13.7
|
1.0
|
|
HA
|
A:HIS10
|
4.8
|
16.3
|
1.0
|
|
Fluorine binding site 10 out
of 14 in 6sd7
Go back to
Fluorine Binding Sites List in 6sd7
Fluorine binding site 10 out
of 14 in the Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Human Carbonic Anhydrase II in Complex with Fluorinated Benzenesulfonamide and Its Dimer within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:21.8
occ:1.00
|
F4
|
A:SXG305
|
0.0
|
21.8
|
1.0
|
|
C7
|
A:SXG305
|
1.3
|
18.7
|
1.0
|
|
C8
|
A:SXG305
|
2.4
|
17.1
|
1.0
|
|
C6
|
A:SXG305
|
2.4
|
18.3
|
1.0
|
|
F3
|
A:SXG305
|
2.7
|
19.5
|
1.0
|
|
F5
|
A:SXG305
|
2.7
|
18.2
|
1.0
|
|
HB2
|
A:HIS10
|
3.0
|
18.3
|
1.0
|
|
HB3
|
A:HIS10
|
3.4
|
18.3
|
1.0
|
|
CB
|
A:HIS10
|
3.6
|
15.3
|
1.0
|
|
C9
|
A:SXG305
|
3.6
|
15.6
|
1.0
|
|
C5
|
A:SXG305
|
3.6
|
16.5
|
1.0
|
|
CG
|
A:HIS10
|
4.1
|
16.6
|
1.0
|
|
HD2
|
A:HIS10
|
4.1
|
22.1
|
1.0
|
|
C4
|
A:SXG305
|
4.1
|
15.1
|
1.0
|
|
CD2
|
A:HIS10
|
4.3
|
18.5
|
1.0
|
|
F6
|
A:SXG305
|
4.7
|
17.6
|
1.0
|
|
F2
|
A:SXG305
|
4.7
|
17.4
|
1.0
|
|
CA
|
A:HIS10
|
5.0
|
13.6
|
1.0
|
|
Reference:
S.Glockner,
K.Ngo,
B.Wagner,
A.Heine,
G.Klebe.
The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules V. 10 2020.
ISSN: ESSN 2218-273X
PubMed: 32230853
DOI: 10.3390/BIOM10040509
Page generated: Fri Aug 2 01:42:35 2024
|
