Fluorine in PDB 8bos: Transition State Analogue Complex of Small G Protein and Its Gap Effector
Enzymatic activity of Transition State Analogue Complex of Small G Protein and Its Gap Effector
All present enzymatic activity of Transition State Analogue Complex of Small G Protein and Its Gap Effector:
3.6.5.2;
Protein crystallography data
The structure of Transition State Analogue Complex of Small G Protein and Its Gap Effector, PDB code: 8bos
was solved by
P.Baumann,
Y.Jin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
84.66 /
2.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.832,
41.558,
89.674,
90,
109.25,
90
|
R / Rfree (%)
|
19.8 /
28
|
Other elements in 8bos:
The structure of Transition State Analogue Complex of Small G Protein and Its Gap Effector also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Transition State Analogue Complex of Small G Protein and Its Gap Effector
(pdb code 8bos). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the
Transition State Analogue Complex of Small G Protein and Its Gap Effector, PDB code: 8bos:
Jump to Fluorine binding site number:
1;
2;
3;
Fluorine binding site 1 out
of 3 in 8bos
Go back to
Fluorine Binding Sites List in 8bos
Fluorine binding site 1 out
of 3 in the Transition State Analogue Complex of Small G Protein and Its Gap Effector
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Transition State Analogue Complex of Small G Protein and Its Gap Effector within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:F202
b:25.2
occ:1.00
|
F1
|
R:MGF202
|
0.0
|
25.2
|
1.0
|
MG
|
R:MGF202
|
2.0
|
25.5
|
1.0
|
NH1
|
G:ARG789
|
2.1
|
29.1
|
1.0
|
NE2
|
R:GLN61
|
2.5
|
28.3
|
1.0
|
O3B
|
R:GDP201
|
2.7
|
29.3
|
1.0
|
O
|
R:HOH311
|
2.8
|
18.2
|
1.0
|
CG
|
G:ARG789
|
3.0
|
35.4
|
1.0
|
CD
|
G:ARG789
|
3.1
|
30.8
|
1.0
|
CZ
|
G:ARG789
|
3.2
|
32.1
|
1.0
|
F3
|
R:MGF202
|
3.5
|
24.1
|
1.0
|
F2
|
R:MGF202
|
3.5
|
23.0
|
1.0
|
N
|
R:GLY13
|
3.5
|
28.0
|
1.0
|
CA
|
R:GLY12
|
3.5
|
30.8
|
1.0
|
CD
|
R:GLN61
|
3.5
|
26.6
|
1.0
|
NE
|
G:ARG789
|
3.5
|
31.6
|
1.0
|
OE1
|
R:GLN61
|
3.8
|
28.2
|
1.0
|
C
|
R:GLY12
|
3.9
|
29.3
|
1.0
|
CB
|
R:PRO34
|
3.9
|
27.1
|
1.0
|
CA
|
R:PRO34
|
4.2
|
28.2
|
1.0
|
PB
|
R:GDP201
|
4.2
|
29.7
|
1.0
|
NH2
|
G:ARG789
|
4.3
|
35.1
|
1.0
|
O
|
G:ARG789
|
4.4
|
29.8
|
1.0
|
CA
|
R:GLY13
|
4.4
|
27.4
|
1.0
|
CB
|
G:ARG789
|
4.5
|
34.0
|
1.0
|
CG
|
R:PRO34
|
4.6
|
29.0
|
1.0
|
N
|
R:THR35
|
4.6
|
24.9
|
1.0
|
CG
|
R:GLN61
|
4.9
|
24.8
|
1.0
|
O
|
R:GLY12
|
4.9
|
25.5
|
1.0
|
N
|
R:GLY12
|
4.9
|
30.8
|
1.0
|
O3A
|
R:GDP201
|
4.9
|
27.2
|
1.0
|
CA
|
G:ARG789
|
4.9
|
33.2
|
1.0
|
O1B
|
R:GDP201
|
5.0
|
26.0
|
1.0
|
C
|
R:PRO34
|
5.0
|
28.5
|
1.0
|
|
Fluorine binding site 2 out
of 3 in 8bos
Go back to
Fluorine Binding Sites List in 8bos
Fluorine binding site 2 out
of 3 in the Transition State Analogue Complex of Small G Protein and Its Gap Effector
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Transition State Analogue Complex of Small G Protein and Its Gap Effector within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:F202
b:23.0
occ:1.00
|
F2
|
R:MGF202
|
0.0
|
23.0
|
1.0
|
MG
|
R:MG203
|
1.9
|
31.6
|
1.0
|
MG
|
R:MGF202
|
1.9
|
25.5
|
1.0
|
O
|
R:HOH302
|
2.4
|
29.5
|
1.0
|
OG1
|
R:THR35
|
2.5
|
22.6
|
1.0
|
O
|
R:HOH307
|
2.7
|
24.4
|
1.0
|
O3B
|
R:GDP201
|
2.7
|
29.3
|
1.0
|
O
|
R:HOH311
|
2.7
|
18.2
|
1.0
|
N
|
R:THR35
|
2.8
|
24.9
|
1.0
|
O1B
|
R:GDP201
|
2.9
|
26.0
|
1.0
|
CB
|
R:THR35
|
2.9
|
24.4
|
1.0
|
F3
|
R:MGF202
|
3.3
|
24.1
|
1.0
|
PB
|
R:GDP201
|
3.4
|
29.7
|
1.0
|
CA
|
R:THR35
|
3.4
|
25.3
|
1.0
|
F1
|
R:MGF202
|
3.5
|
25.2
|
1.0
|
NH1
|
G:ARG789
|
3.5
|
29.1
|
1.0
|
C
|
R:PRO34
|
3.8
|
28.5
|
1.0
|
OG
|
R:SER17
|
3.8
|
34.6
|
1.0
|
CA
|
R:PRO34
|
3.9
|
28.2
|
1.0
|
O
|
R:THR58
|
3.9
|
36.4
|
1.0
|
O
|
R:THR35
|
4.1
|
26.7
|
1.0
|
C
|
R:THR35
|
4.2
|
26.3
|
1.0
|
CG2
|
R:THR35
|
4.4
|
24.8
|
1.0
|
O2B
|
R:GDP201
|
4.5
|
25.5
|
1.0
|
O3A
|
R:GDP201
|
4.5
|
27.2
|
1.0
|
O1A
|
R:GDP201
|
4.5
|
30.9
|
1.0
|
O
|
R:ASP33
|
4.6
|
32.5
|
1.0
|
NZ
|
R:LYS16
|
4.6
|
25.2
|
1.0
|
CB
|
R:PRO34
|
4.7
|
27.1
|
1.0
|
CZ
|
G:ARG789
|
4.8
|
32.1
|
1.0
|
OD1
|
R:ASP57
|
4.8
|
38.5
|
1.0
|
CA
|
R:ALA59
|
4.8
|
30.3
|
1.0
|
C
|
R:THR58
|
4.9
|
33.5
|
1.0
|
CE
|
R:LYS16
|
4.9
|
25.2
|
1.0
|
O
|
R:PRO34
|
4.9
|
28.4
|
1.0
|
|
Fluorine binding site 3 out
of 3 in 8bos
Go back to
Fluorine Binding Sites List in 8bos
Fluorine binding site 3 out
of 3 in the Transition State Analogue Complex of Small G Protein and Its Gap Effector
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Transition State Analogue Complex of Small G Protein and Its Gap Effector within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:F202
b:24.1
occ:1.00
|
F3
|
R:MGF202
|
0.0
|
24.1
|
1.0
|
MG
|
R:MGF202
|
2.0
|
25.5
|
1.0
|
NZ
|
R:LYS16
|
2.5
|
25.2
|
1.0
|
N
|
R:GLY60
|
2.7
|
28.5
|
1.0
|
O
|
R:HOH311
|
3.0
|
18.2
|
1.0
|
O3B
|
R:GDP201
|
3.1
|
29.3
|
1.0
|
CE
|
R:LYS16
|
3.2
|
25.2
|
1.0
|
F2
|
R:MGF202
|
3.3
|
23.0
|
1.0
|
F1
|
R:MGF202
|
3.5
|
25.2
|
1.0
|
O
|
R:THR58
|
3.5
|
36.4
|
1.0
|
CA
|
R:ALA59
|
3.5
|
30.3
|
1.0
|
CA
|
R:GLY60
|
3.5
|
28.3
|
1.0
|
C
|
R:ALA59
|
3.5
|
28.3
|
1.0
|
CA
|
R:GLY12
|
3.5
|
30.8
|
1.0
|
O
|
R:HOH302
|
3.6
|
29.5
|
1.0
|
O
|
R:ALA11
|
3.9
|
29.4
|
1.0
|
OE1
|
R:GLN61
|
4.0
|
28.2
|
1.0
|
PB
|
R:GDP201
|
4.1
|
29.7
|
1.0
|
N
|
R:GLY12
|
4.1
|
30.8
|
1.0
|
O2B
|
R:GDP201
|
4.1
|
25.5
|
1.0
|
NE2
|
R:GLN61
|
4.2
|
28.3
|
1.0
|
C
|
R:ALA11
|
4.2
|
31.5
|
1.0
|
C
|
R:THR58
|
4.3
|
33.5
|
1.0
|
N
|
R:ALA59
|
4.3
|
32.6
|
1.0
|
O
|
R:GLY10
|
4.3
|
39.8
|
1.0
|
C
|
R:GLY60
|
4.4
|
30.1
|
1.0
|
CD
|
R:GLN61
|
4.4
|
26.6
|
1.0
|
N
|
R:GLY13
|
4.4
|
28.0
|
1.0
|
C
|
R:GLY12
|
4.5
|
29.3
|
1.0
|
N
|
R:GLN61
|
4.6
|
29.8
|
1.0
|
O1B
|
R:GDP201
|
4.6
|
26.0
|
1.0
|
CB
|
R:ALA59
|
4.6
|
29.4
|
1.0
|
MG
|
R:MG203
|
4.6
|
31.6
|
1.0
|
CD
|
R:LYS16
|
4.6
|
25.7
|
1.0
|
O
|
R:ALA59
|
4.7
|
26.8
|
1.0
|
NH1
|
G:ARG789
|
5.0
|
29.1
|
1.0
|
|
Reference:
P.Baumann,
Y.Jin.
A Small G Protein with MGF3 Tsa Complex To Be Published.
Page generated: Fri Aug 2 16:52:33 2024
|