Fluorine in PDB 7qtm: Transition State Analogue of Small G Protein in Complex with Relevant Gap

Enzymatic activity of Transition State Analogue of Small G Protein in Complex with Relevant Gap

All present enzymatic activity of Transition State Analogue of Small G Protein in Complex with Relevant Gap:
3.6.5.2;

Protein crystallography data

The structure of Transition State Analogue of Small G Protein in Complex with Relevant Gap, PDB code: 7qtm 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) 55.31 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.632, 66.604, 76.463, 90, 95.02, 90
R / Rfree (%) 22 / 30.4

Other elements in 7qtm:

The structure of Transition State Analogue of Small G Protein in Complex with Relevant Gap also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Transition State Analogue of Small G Protein in Complex with Relevant Gap (pdb code 7qtm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Transition State Analogue of Small G Protein in Complex with Relevant Gap, PDB code: 7qtm:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 1 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


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 of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F34

b:36.4
occ:1.00
 F1 B:F2Y34 0.0 36.4 1.0
CE1 B:F2Y34 1.4 39.7 1.0
CD1 B:F2Y34 2.4 41.9 1.0
CZ B:F2Y34 2.4 41.8 1.0
O2A B:GDP201 2.6 34.9 1.0
OH B:F2Y34 2.8 39.7 1.0
F3 B:MGF202 3.0 22.1 1.0
O B:HOH301 3.1 22.6 1.0
O3B B:GDP201 3.1 32.9 1.0
O3A B:GDP201 3.6 33.8 1.0
CE2 B:F2Y34 3.6 46.4 1.0
CG B:F2Y34 3.6 44.0 1.0
PA B:GDP201 3.6 32.4 1.0
F1 B:MGF202 3.7 27.3 1.0
MG B:MGF202 3.7 25.8 1.0
O B:VAL35 3.7 34.0 1.0
PB B:GDP201 3.8 33.1 1.0
CA B:PRO36 3.9 31.7 1.0
O2B B:GDP201 3.9 26.6 1.0
C5' B:GDP201 4.0 38.8 1.0
C B:VAL35 4.0 35.0 1.0
N B:PRO36 4.1 31.1 1.0
CD2 B:F2Y34 4.1 47.9 1.0
O5' B:GDP201 4.2 35.4 1.0
O B:HOH313 4.2 37.2 1.0
MG B:MG203 4.3 32.1 1.0
CA B:ALA15 4.4 32.7 1.0
N B:ALA15 4.6 31.4 1.0
N B:VAL35 4.6 40.3 1.0
F2 B:F2Y34 4.7 54.4 1.0
CB B:PRO36 4.7 31.1 1.0
N B:THR37 4.9 28.8 1.0
CB B:F2Y34 4.9 43.0 1.0
C B:PRO36 4.9 29.3 1.0
CB B:ALA15 5.0 30.4 1.0
CA B:VAL35 5.0 38.3 1.0

Fluorine binding site 2 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 2 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


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 of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F34

b:54.4
occ:1.00
 F2 B:F2Y34 0.0 54.4 1.0
CE2 B:F2Y34 1.4 46.4 1.0
CD2 B:F2Y34 2.3 47.9 1.0
CZ B:F2Y34 2.4 41.8 1.0
OH B:F2Y34 2.7 39.7 1.0
CB A:ALA85 3.1 31.3 1.0
SD A:MET190 3.2 35.8 1.0
CE1 B:F2Y34 3.6 39.7 1.0
CG B:F2Y34 3.6 44.0 1.0
CE A:MET190 4.1 36.1 1.0
CA A:GLY82 4.1 31.3 1.0
CD1 B:F2Y34 4.1 41.9 1.0
NZ A:LYS189 4.6 57.1 1.0
CG B:PRO36 4.6 31.1 1.0
CA A:ALA85 4.6 32.5 1.0
F1 B:F2Y34 4.7 36.4 1.0
CD B:PRO36 4.8 30.8 1.0
ND2 A:ASN194 4.8 32.9 1.0
CB B:F2Y34 4.9 43.0 1.0
O A:LYS189 4.9 41.3 1.0
C A:GLY82 4.9 30.5 1.0
CG A:MET190 4.9 36.1 1.0
O A:GLY82 5.0 30.7 1.0

Fluorine binding site 3 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 3 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


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 of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F34

b:45.4
occ:1.00
 F1 I:F2Y34 0.0 45.4 1.0
CE1 I:F2Y34 1.4 43.7 1.0
CZ I:F2Y34 2.4 44.6 1.0
CD1 I:F2Y34 2.4 41.6 1.0
F3 I:MGF202 2.7 22.9 1.0
OH I:F2Y34 2.7 44.7 1.0
O I:HOH302 2.8 19.0 1.0
O2A I:GDP201 2.9 27.5 1.0
O3B I:GDP201 3.1 26.8 1.0
F1 I:MGF202 3.4 29.5 1.0
MG I:MGF202 3.5 26.1 1.0
CA I:PRO36 3.6 31.0 1.0
CE2 I:F2Y34 3.6 46.8 1.0
O I:VAL35 3.6 32.7 1.0
CG I:F2Y34 3.6 41.4 1.0
O3A I:GDP201 3.8 28.1 1.0
PB I:GDP201 3.8 25.5 1.0
N I:PRO36 3.9 32.2 1.0
C I:VAL35 3.9 32.7 1.0
PA I:GDP201 3.9 26.0 1.0
O1B I:GDP201 3.9 23.3 1.0
MG I:MG203 4.1 30.6 1.0
CD2 I:F2Y34 4.1 43.6 1.0
C5' I:GDP201 4.3 34.0 1.0
O5' I:GDP201 4.4 31.2 1.0
N I:THR37 4.5 32.1 1.0
CB I:PRO36 4.5 30.6 1.0
C I:PRO36 4.6 31.0 1.0
N I:VAL35 4.6 35.6 1.0
CA I:ALA15 4.7 31.8 1.0
F2 I:F2Y34 4.7 57.3 1.0
N I:ALA15 4.7 30.4 1.0
CG I:PRO36 4.7 30.1 1.0
CD I:PRO36 4.8 29.7 1.0
CA I:VAL35 4.9 34.4 1.0
CB I:F2Y34 4.9 42.4 1.0
O I:HOH328 5.0 36.1 1.0

Fluorine binding site 4 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 4 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Transition State Analogue of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F34

b:57.3
occ:1.00
 F2 I:F2Y34 0.0 57.3 1.0
CE2 I:F2Y34 1.4 46.8 1.0
CD2 I:F2Y34 2.3 43.6 1.0
CZ I:F2Y34 2.4 44.6 1.0
OH I:F2Y34 2.8 44.7 1.0
CB H:ALA85 3.1 34.0 1.0
SD H:MET190 3.3 38.5 1.0
CE1 I:F2Y34 3.6 43.7 1.0
CG I:F2Y34 3.6 41.4 1.0
CD1 I:F2Y34 4.1 41.6 1.0
CG I:PRO36 4.1 30.1 1.0
CE H:MET190 4.2 36.9 1.0
O H:LYS189 4.2 47.0 1.0
CA H:GLY82 4.3 42.5 1.0
CD I:PRO36 4.3 29.7 1.0
ND2 H:ASN194 4.4 39.5 1.0
CA H:ALA85 4.6 35.9 1.0
F1 I:F2Y34 4.7 45.4 1.0
CB I:F2Y34 4.8 42.4 1.0
N I:PRO36 4.9 32.2 1.0
CB H:ASN194 5.0 36.0 1.0

Fluorine binding site 5 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 5 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Transition State Analogue of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:27.3
occ:1.00
 F1 B:MGF202 0.0 27.3 1.0
MG B:MGF202 1.8 25.8 1.0
MG B:MG203 1.9 32.1 1.0
O B:HOH305 2.8 27.1 1.0
O3B B:GDP201 2.8 32.9 1.0
O B:HOH309 2.9 25.2 1.0
O2B B:GDP201 2.9 26.6 1.0
N B:THR37 2.9 28.8 1.0
OG1 B:THR37 3.1 28.7 1.0
O B:HOH301 3.1 22.6 1.0
CB B:THR37 3.1 28.4 1.0
F3 B:MGF202 3.2 22.1 1.0
F2 B:MGF202 3.2 23.1 1.0
PB B:GDP201 3.4 33.1 1.0
CA B:THR37 3.6 28.7 1.0
F1 B:F2Y34 3.7 36.4 1.0
C B:PRO36 3.9 29.3 1.0
CA B:PRO36 4.0 31.7 1.0
OG1 B:THR19 4.0 35.2 1.0
O B:THR37 4.1 31.3 1.0
C B:THR37 4.4 29.4 1.0
CG2 B:THR37 4.4 27.0 1.0
O1B B:GDP201 4.4 34.7 1.0
O2A B:GDP201 4.4 34.9 1.0
O B:VAL35 4.5 34.0 1.0
O B:THR60 4.6 24.0 1.0
O3A B:GDP201 4.7 33.8 1.0
NZ B:LYS18 4.7 35.8 1.0
CE B:LYS18 4.8 39.1 1.0
CB B:PRO36 4.8 31.1 1.0
CE1 B:F2Y34 4.9 39.7 1.0
CB B:THR19 5.0 33.6 1.0

Fluorine binding site 6 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 6 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Transition State Analogue of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:23.1
occ:1.00
 F2 B:MGF202 0.0 23.1 1.0
MG B:MGF202 1.8 25.8 1.0
O B:HOH305 2.4 27.1 1.0
O3B B:GDP201 2.8 32.9 1.0
N B:GLY62 2.8 29.8 1.0
NZ B:LYS18 2.9 35.8 1.0
F3 B:MGF202 3.2 22.1 1.0
F1 B:MGF202 3.2 27.3 1.0
CA B:GLY62 3.3 32.4 1.0
CE B:LYS18 3.4 39.1 1.0
CA B:GLY14 3.5 31.2 1.0
OE1 B:GLN63 3.6 28.8 1.0
PB B:GDP201 3.8 33.1 1.0
N B:ALA15 3.9 31.4 1.0
C B:ALA61 4.0 31.1 1.0
O1B B:GDP201 4.0 34.7 1.0
N B:GLY14 4.1 30.8 1.0
O B:ASP13 4.1 28.1 1.0
NE2 B:GLN63 4.1 30.9 1.0
CD B:GLN63 4.1 29.6 1.0
C B:GLY62 4.2 32.0 1.0
C B:GLY14 4.2 32.2 1.0
CA B:ALA61 4.3 29.9 1.0
N B:GLN63 4.3 29.3 1.0
O B:HOH309 4.3 25.2 1.0
C B:ASP13 4.3 30.0 1.0
O B:GLY12 4.4 29.3 1.0
O2B B:GDP201 4.4 26.6 1.0
O B:THR60 4.5 24.0 1.0
MG B:MG203 4.6 32.1 1.0
CD B:LYS18 4.9 38.4 1.0

Fluorine binding site 7 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 7 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Transition State Analogue of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:22.1
occ:1.00
 F3 B:MGF202 0.0 22.1 1.0
MG B:MGF202 1.8 25.8 1.0
OH B:F2Y34 2.5 39.7 1.0
O B:HOH305 2.8 27.1 1.0
NE2 B:GLN63 2.8 30.9 1.0
O3B B:GDP201 2.9 32.9 1.0
F1 B:F2Y34 3.0 36.4 1.0
F1 B:MGF202 3.2 27.3 1.0
F2 B:MGF202 3.2 23.1 1.0
CZ B:F2Y34 3.5 41.8 1.0
CB B:PRO36 3.5 31.1 1.0
CA B:PRO36 3.6 31.7 1.0
N B:ALA15 3.7 31.4 1.0
CE1 B:F2Y34 3.7 39.7 1.0
CD B:GLN63 3.8 29.6 1.0
OE1 B:GLN63 3.8 28.8 1.0
CA B:GLY14 4.2 31.2 1.0
PB B:GDP201 4.3 33.1 1.0
N B:THR37 4.4 28.8 1.0
C B:GLY14 4.4 32.2 1.0
CA B:ALA15 4.5 32.7 1.0
CG B:PRO36 4.5 31.1 1.0
C B:PRO36 4.5 29.3 1.0
N B:PRO36 4.6 31.1 1.0
O A:ALA85 4.6 36.0 1.0
CE2 B:F2Y34 4.7 46.4 1.0
O2B B:GDP201 4.8 26.6 1.0
CB A:ALA85 4.9 31.3 1.0
MG B:MG203 4.9 32.1 1.0
O B:HOH301 5.0 22.6 1.0
CB B:ALA15 5.0 30.4 1.0

Fluorine binding site 8 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 8 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Transition State Analogue of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F202

b:29.5
occ:1.00
 F1 I:MGF202 0.0 29.5 1.0
MG I:MG203 1.8 30.6 1.0
MG I:MGF202 1.9 26.1 1.0
O I:HOH309 2.6 27.4 1.0
O I:HOH320 2.7 33.2 1.0
N I:THR37 2.8 32.1 1.0
O I:HOH302 2.9 19.0 1.0
OG1 I:THR37 3.0 34.0 1.0
CB I:THR37 3.0 35.1 1.0
O1B I:GDP201 3.1 23.3 1.0
O3B I:GDP201 3.1 26.8 1.0
F3 I:MGF202 3.1 22.9 1.0
F2 I:MGF202 3.3 21.0 1.0
F1 I:F2Y34 3.4 45.4 1.0
CA I:THR37 3.5 31.4 1.0
PB I:GDP201 3.6 25.5 1.0
C I:PRO36 3.8 31.0 1.0
O I:THR37 3.8 28.7 1.0
CA I:PRO36 3.9 31.0 1.0
OG1 I:THR19 3.9 35.1 1.0
C I:THR37 4.2 31.3 1.0
CG2 I:THR37 4.4 34.9 1.0
O I:THR60 4.4 26.2 1.0
O2A I:GDP201 4.5 27.5 1.0
O I:VAL35 4.5 32.7 1.0
NZ I:LYS18 4.6 30.1 1.0
O2B I:GDP201 4.7 29.1 1.0
CE1 I:F2Y34 4.8 43.7 1.0
CB I:PRO36 4.8 30.6 1.0
CE I:LYS18 4.9 33.0 1.0
O3A I:GDP201 4.9 28.1 1.0
CB I:THR19 4.9 34.7 1.0
O I:PRO36 5.0 31.6 1.0
CA I:ALA61 5.0 26.8 1.0

Fluorine binding site 9 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 9 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Transition State Analogue of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F202

b:21.0
occ:1.00
 F2 I:MGF202 0.0 21.0 1.0
MG I:MGF202 1.9 26.1 1.0
O I:HOH320 2.6 33.2 1.0
NZ I:LYS18 2.6 30.1 1.0
N I:GLY62 2.7 26.3 1.0
O3B I:GDP201 2.9 26.8 1.0
CA I:GLY62 3.1 28.5 1.0
F1 I:MGF202 3.3 29.5 1.0
F3 I:MGF202 3.3 22.9 1.0
CE I:LYS18 3.3 33.0 1.0
CA I:GLY14 3.5 28.5 1.0
C I:ALA61 3.8 26.0 1.0
PB I:GDP201 3.8 25.5 1.0
NE2 I:GLN63 3.9 33.3 1.0
O I:HOH309 3.9 27.4 1.0
OE1 I:GLN63 3.9 35.4 1.0
N I:ALA15 4.0 30.4 1.0
O2B I:GDP201 4.1 29.1 1.0
N I:GLY14 4.1 28.2 1.0
C I:GLY62 4.1 31.2 1.0
CD I:GLN63 4.1 31.0 1.0
O I:ASP13 4.2 26.8 1.0
CA I:ALA61 4.2 26.8 1.0
N I:GLN63 4.2 27.5 1.0
C I:GLY14 4.3 28.9 1.0
O I:THR60 4.3 26.2 1.0
O1B I:GDP201 4.4 23.3 1.0
O I:GLY12 4.4 29.4 1.0
C I:ASP13 4.4 28.2 1.0
MG I:MG203 4.4 30.6 1.0
CD I:LYS18 4.8 33.0 1.0
O I:ALA61 4.9 22.9 1.0

Fluorine binding site 10 out of 10 in 7qtm

Go back to Fluorine Binding Sites List in 7qtm
Fluorine binding site 10 out of 10 in the Transition State Analogue of Small G Protein in Complex with Relevant Gap


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Transition State Analogue of Small G Protein in Complex with Relevant Gap within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F202

b:22.9
occ:1.00
 F3 I:MGF202 0.0 22.9 1.0
MG I:MGF202 1.9 26.1 1.0
OH I:F2Y34 2.4 44.7 1.0
F1 I:F2Y34 2.7 45.4 1.0
NE2 I:GLN63 2.7 33.3 1.0
O3B I:GDP201 2.9 26.8 1.0
O I:HOH320 3.0 33.2 1.0
F1 I:MGF202 3.1 29.5 1.0
F2 I:MGF202 3.3 21.0 1.0
CZ I:F2Y34 3.3 44.6 1.0
CE1 I:F2Y34 3.5 43.7 1.0
CA I:PRO36 3.5 31.0 1.0
CB I:PRO36 3.5 30.6 1.0
CD I:GLN63 3.8 31.0 1.0
N I:ALA15 3.9 30.4 1.0
CG I:PRO36 4.2 30.1 1.0
OE1 I:GLN63 4.2 35.4 1.0
N I:THR37 4.3 32.1 1.0
PB I:GDP201 4.3 25.5 1.0
CA I:GLY14 4.3 28.5 1.0
C I:PRO36 4.4 31.0 1.0
N I:PRO36 4.4 32.2 1.0
C I:GLY14 4.6 28.9 1.0
CA I:ALA15 4.6 31.8 1.0
O I:HOH302 4.6 19.0 1.0
CE2 I:F2Y34 4.6 46.8 1.0
O H:ALA85 4.7 36.9 1.0
MG I:MG203 4.7 30.6 1.0
O1B I:GDP201 4.8 23.3 1.0
CD1 I:F2Y34 4.8 41.6 1.0
CB H:ALA85 4.9 34.0 1.0
CD I:PRO36 5.0 29.7 1.0

Reference:

P.Baumann, Y.Jin. Transition State Analogue of Small G Protein in Complex with Relevant Gap To Be Published.
Page generated: Fri Aug 2 11:48:41 2024

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