Fluorine in PDB 8hxf: Crystal Structure of Athppd-Y181188 Complex
Enzymatic activity of Crystal Structure of Athppd-Y181188 Complex
All present enzymatic activity of Crystal Structure of Athppd-Y181188 Complex:
1.13.11.27;
Protein crystallography data
The structure of Crystal Structure of Athppd-Y181188 Complex, PDB code: 8hxf
was solved by
J.Dong,
H.-Y.Lin,
G.-F.Yang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.09 /
1.70
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
76.745,
83.95,
62.157,
90,
99.91,
90
|
R / Rfree (%)
|
17.6 /
19.7
|
Other elements in 8hxf:
The structure of Crystal Structure of Athppd-Y181188 Complex also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Athppd-Y181188 Complex
(pdb code 8hxf). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the
Crystal Structure of Athppd-Y181188 Complex, PDB code: 8hxf:
Jump to Fluorine binding site number:
1;
2;
3;
Fluorine binding site 1 out
of 3 in 8hxf
Go back to
Fluorine Binding Sites List in 8hxf
Fluorine binding site 1 out
of 3 in the Crystal Structure of Athppd-Y181188 Complex
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Athppd-Y181188 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:53.9
occ:1.00
|
F30
|
A:T5R502
|
0.0
|
53.9
|
1.0
|
C29
|
A:T5R502
|
1.4
|
47.6
|
1.0
|
F31
|
A:T5R502
|
2.2
|
50.5
|
1.0
|
F32
|
A:T5R502
|
2.2
|
51.1
|
1.0
|
C26
|
A:T5R502
|
2.4
|
47.0
|
1.0
|
C27
|
A:T5R502
|
2.7
|
48.7
|
1.0
|
O
|
A:HOH787
|
2.8
|
41.7
|
1.0
|
CB
|
A:GLN293
|
3.0
|
35.9
|
1.0
|
NE2
|
A:GLN293
|
3.1
|
49.9
|
1.0
|
C25
|
A:T5R502
|
3.6
|
45.7
|
1.0
|
CD
|
A:GLN293
|
3.7
|
51.5
|
1.0
|
CG
|
A:GLN293
|
3.8
|
41.8
|
1.0
|
CA
|
A:GLN293
|
3.9
|
32.8
|
1.0
|
N
|
A:GLN293
|
3.9
|
30.6
|
1.0
|
C28
|
A:T5R502
|
4.1
|
47.5
|
1.0
|
C
|
A:GLN293
|
4.4
|
29.2
|
1.0
|
N
|
A:ILE294
|
4.6
|
29.4
|
1.0
|
OE1
|
A:GLN293
|
4.6
|
54.7
|
1.0
|
O
|
A:SER263
|
4.7
|
46.4
|
1.0
|
C24
|
A:T5R502
|
4.7
|
44.5
|
1.0
|
C22
|
A:T5R502
|
5.0
|
39.5
|
1.0
|
|
Fluorine binding site 2 out
of 3 in 8hxf
Go back to
Fluorine Binding Sites List in 8hxf
Fluorine binding site 2 out
of 3 in the Crystal Structure of Athppd-Y181188 Complex
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Athppd-Y181188 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:50.5
occ:1.00
|
F31
|
A:T5R502
|
0.0
|
50.5
|
1.0
|
C29
|
A:T5R502
|
1.4
|
47.6
|
1.0
|
F32
|
A:T5R502
|
2.2
|
51.1
|
1.0
|
F30
|
A:T5R502
|
2.2
|
53.9
|
1.0
|
C26
|
A:T5R502
|
2.4
|
47.0
|
1.0
|
C25
|
A:T5R502
|
3.1
|
45.7
|
1.0
|
O
|
A:SER263
|
3.3
|
46.4
|
1.0
|
C27
|
A:T5R502
|
3.4
|
48.7
|
1.0
|
CD2
|
A:LEU265
|
3.5
|
33.0
|
1.0
|
O
|
A:HOH787
|
3.5
|
41.7
|
1.0
|
CG
|
A:LEU265
|
4.1
|
33.0
|
1.0
|
CE2
|
A:PHE424
|
4.3
|
41.1
|
1.0
|
C24
|
A:T5R502
|
4.3
|
44.5
|
1.0
|
C
|
A:SER263
|
4.5
|
51.2
|
1.0
|
CB
|
A:LEU265
|
4.6
|
29.9
|
1.0
|
CZ
|
A:PHE424
|
4.6
|
37.5
|
1.0
|
C28
|
A:T5R502
|
4.6
|
47.5
|
1.0
|
CD1
|
A:ILE294
|
4.7
|
23.6
|
1.0
|
CG1
|
A:ILE294
|
4.8
|
26.5
|
1.0
|
C
|
A:GLY264
|
4.9
|
34.5
|
1.0
|
CB
|
A:GLN293
|
4.9
|
35.9
|
1.0
|
C22
|
A:T5R502
|
5.0
|
39.5
|
1.0
|
|
Fluorine binding site 3 out
of 3 in 8hxf
Go back to
Fluorine Binding Sites List in 8hxf
Fluorine binding site 3 out
of 3 in the Crystal Structure of Athppd-Y181188 Complex
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Athppd-Y181188 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:51.1
occ:1.00
|
F32
|
A:T5R502
|
0.0
|
51.1
|
1.0
|
C29
|
A:T5R502
|
1.4
|
47.6
|
1.0
|
F31
|
A:T5R502
|
2.2
|
50.5
|
1.0
|
F30
|
A:T5R502
|
2.2
|
53.9
|
1.0
|
C26
|
A:T5R502
|
2.3
|
47.0
|
1.0
|
C25
|
A:T5R502
|
2.8
|
45.7
|
1.0
|
CD1
|
A:ILE294
|
3.2
|
23.6
|
1.0
|
C27
|
A:T5R502
|
3.5
|
48.7
|
1.0
|
CG1
|
A:ILE294
|
3.7
|
26.5
|
1.0
|
CD2
|
A:LEU265
|
3.8
|
33.0
|
1.0
|
N
|
A:ILE294
|
3.9
|
29.4
|
1.0
|
NE2
|
A:GLN307
|
4.0
|
21.0
|
1.0
|
CB
|
A:GLN293
|
4.0
|
35.9
|
1.0
|
C24
|
A:T5R502
|
4.1
|
44.5
|
1.0
|
C
|
A:GLN293
|
4.2
|
29.2
|
1.0
|
O
|
A:HOH802
|
4.2
|
25.0
|
1.0
|
O
|
A:HOH787
|
4.4
|
41.7
|
1.0
|
CA
|
A:GLN293
|
4.5
|
32.8
|
1.0
|
C28
|
A:T5R502
|
4.6
|
47.5
|
1.0
|
N
|
A:GLN293
|
4.6
|
30.6
|
1.0
|
CA
|
A:ILE294
|
4.7
|
27.1
|
1.0
|
O
|
A:GLN293
|
4.7
|
26.9
|
1.0
|
CB
|
A:ILE294
|
4.8
|
26.8
|
1.0
|
CG
|
A:LEU265
|
4.9
|
33.0
|
1.0
|
C22
|
A:T5R502
|
4.9
|
39.5
|
1.0
|
|
Reference:
J.Dong,
H.-Y.Lin,
G.-F.Yang.
Crystal Structure of Athppd-Y181188 Complex To Be Published.
Page generated: Fri Aug 2 20:26:41 2024
|