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Fluorine in PDB 7qsc: Gtpase in Complex with Gdp.MGF3-

Enzymatic activity of Gtpase in Complex with Gdp.MGF3-

All present enzymatic activity of Gtpase in Complex with Gdp.MGF3-:
3.6.5.2;

Protein crystallography data

The structure of Gtpase in Complex with Gdp.MGF3-, PDB code: 7qsc 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) 55.64 / 1.91
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.765, 66.489, 76.958, 90, 95.27, 90
R / Rfree (%) 24.4 / 29.5

Other elements in 7qsc:

The structure of Gtpase in Complex with Gdp.MGF3- also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Gtpase in Complex with Gdp.MGF3- (pdb code 7qsc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Gtpase in Complex with Gdp.MGF3-, PDB code: 7qsc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 7qsc

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Fluorine binding site 1 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F34

b:34.6
occ:1.00
F2 B:FY334 0.0 34.6 1.0
CD1 B:FY334 1.3 30.0 1.0
CE1 B:FY334 2.3 30.2 1.0
CG B:FY334 2.4 28.9 1.0
F3 B:FY334 2.7 31.4 1.0
CB B:FY334 2.9 27.2 1.0
CE A:LYS189 3.1 27.9 0.5
CB A:LYS189 3.4 28.2 0.5
CB A:LYS189 3.5 29.0 0.5
CD A:LYS189 3.5 27.9 0.5
CZ B:FY334 3.6 28.3 1.0
CD2 B:FY334 3.6 27.5 1.0
ND2 A:ASN194 3.7 21.6 1.0
O B:FY334 3.7 22.8 1.0
O A:HOH359 3.8 53.2 1.0
O A:LYS189 3.9 27.1 0.5
O A:LYS189 4.0 26.7 0.5
CG A:LYS189 4.0 28.5 0.5
CA B:FY334 4.0 27.5 1.0
C B:FY334 4.1 25.1 1.0
CE2 B:FY334 4.1 27.5 1.0
O A:HOH304 4.3 30.1 1.0
NZ A:LYS189 4.3 27.8 0.5
CG A:LYS189 4.4 29.6 0.5
C A:LYS189 4.5 27.6 0.5
C A:LYS189 4.5 27.2 0.5
SD A:MET190 4.6 23.7 1.0
CA A:LYS189 4.6 28.3 0.5
CA A:LYS189 4.6 28.8 0.5
OH B:FY334 4.7 27.1 1.0
N B:FY334 4.8 29.8 1.0
O3' B:GDP201 4.9 26.4 1.0
N B:VAL35 5.0 22.7 1.0

Fluorine binding site 2 out of 12 in 7qsc

Go back to Fluorine Binding Sites List in 7qsc
Fluorine binding site 2 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F34

b:31.4
occ:1.00
F3 B:FY334 0.0 31.4 1.0
CE1 B:FY334 1.3 30.2 1.0
CZ B:FY334 2.4 28.3 1.0
CD1 B:FY334 2.4 30.0 1.0
F2 B:FY334 2.7 34.6 1.0
OH B:FY334 2.7 27.1 1.0
CB A:ALA85 3.0 23.5 1.0
SD A:MET190 3.5 23.7 1.0
CE2 B:FY334 3.6 27.5 1.0
CG B:FY334 3.6 28.9 1.0
CA A:GLY82 3.8 24.9 1.0
O A:HOH359 3.8 53.2 1.0
CD2 B:FY334 4.1 27.5 1.0
ND2 A:ASN194 4.4 21.6 1.0
CE A:MET190 4.4 23.6 1.0
CG B:PRO36 4.4 19.9 1.0
CA A:ALA85 4.5 23.5 1.0
F5 B:FY334 4.7 26.1 1.0
N A:GLY82 4.7 25.5 1.0
CD B:PRO36 4.7 20.4 1.0
C A:GLY82 4.7 23.9 1.0
CB B:ALA15 4.8 22.6 1.0
O A:GLY82 4.8 23.1 1.0
CB B:FY334 4.9 27.2 1.0

Fluorine binding site 3 out of 12 in 7qsc

Go back to Fluorine Binding Sites List in 7qsc
Fluorine binding site 3 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F34

b:26.1
occ:1.00
F5 B:FY334 0.0 26.1 1.0
CE2 B:FY334 1.4 27.5 1.0
CD2 B:FY334 2.4 27.5 1.0
CZ B:FY334 2.4 28.3 1.0
O2A B:GDP201 2.7 22.9 1.0
OH B:FY334 2.8 27.1 1.0
O B:HOH307 3.0 18.1 1.0
F3 B:MGF202 3.0 15.8 1.0
O3B B:GDP201 3.2 21.0 1.0
O B:VAL35 3.5 19.9 1.0
O3A B:GDP201 3.5 20.5 1.0
MG B:MGF202 3.6 16.8 1.0
CE1 B:FY334 3.6 30.2 1.0
CG B:FY334 3.6 28.9 1.0
F1 B:MGF202 3.6 15.9 1.0
CA B:PRO36 3.7 19.7 1.0
PA B:GDP201 3.7 20.7 1.0
C B:VAL35 3.8 21.3 1.0
PB B:GDP201 3.8 20.6 1.0
N B:PRO36 3.8 20.2 1.0
O2B B:GDP201 4.0 18.9 1.0
C5' B:GDP201 4.1 23.5 1.0
CD1 B:FY334 4.1 30.0 1.0
MG B:MG203 4.2 17.9 1.0
O5' B:GDP201 4.3 22.2 1.0
CA B:ALA15 4.3 22.1 1.0
N B:ALA15 4.5 21.9 1.0
CB B:PRO36 4.6 19.6 1.0
N B:VAL35 4.6 22.7 1.0
O B:HOH341 4.6 22.0 1.0
CD B:PRO36 4.7 20.4 1.0
F3 B:FY334 4.7 31.4 1.0
C B:PRO36 4.7 19.0 1.0
N B:THR37 4.7 18.4 1.0
CG B:PRO36 4.8 19.9 1.0
CB B:ALA15 4.8 22.6 1.0
CA B:VAL35 4.8 22.0 1.0
CB B:FY334 4.9 27.2 1.0

Fluorine binding site 4 out of 12 in 7qsc

Go back to Fluorine Binding Sites List in 7qsc
Fluorine binding site 4 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F34

b:35.7
occ:1.00
F2 D:FY334 0.0 35.7 1.0
CD1 D:FY334 1.3 31.9 1.0
CE1 D:FY334 2.3 32.5 1.0
CG D:FY334 2.4 29.9 1.0
F3 D:FY334 2.7 35.2 1.0
CB D:FY334 2.9 29.0 1.0
CE C:LYS189 3.3 40.7 1.0
CB C:LYS189 3.6 33.8 1.0
CZ D:FY334 3.6 31.5 1.0
CD2 D:FY334 3.6 28.9 1.0
ND2 C:ASN194 3.6 22.3 1.0
O D:FY334 3.8 27.1 1.0
O C:HOH362 4.0 47.4 1.0
C D:FY334 4.0 26.4 1.0
CA D:FY334 4.0 28.4 1.0
CE2 D:FY334 4.1 29.9 1.0
O C:LYS189 4.1 29.8 1.0
CD C:LYS189 4.1 39.3 1.0
NZ C:LYS189 4.1 42.1 1.0
O C:HOH308 4.2 28.5 1.0
O D:HOH305 4.4 36.5 1.0
CG C:LYS189 4.4 36.2 1.0
C C:LYS189 4.6 29.1 1.0
SD C:MET190 4.7 23.7 1.0
OH D:FY334 4.7 28.4 1.0
CA C:LYS189 4.7 31.9 1.0
N D:VAL35 4.8 24.3 1.0
N D:FY334 4.9 30.1 1.0
CG C:ASN194 4.9 23.1 1.0
O3' D:GDP201 4.9 26.8 1.0

Fluorine binding site 5 out of 12 in 7qsc

Go back to Fluorine Binding Sites List in 7qsc
Fluorine binding site 5 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F34

b:35.2
occ:1.00
F3 D:FY334 0.0 35.2 1.0
CE1 D:FY334 1.3 32.5 1.0
CZ D:FY334 2.4 31.5 1.0
CD1 D:FY334 2.4 31.9 1.0
F2 D:FY334 2.7 35.7 1.0
OH D:FY334 2.7 28.4 1.0
CB C:ALA85 3.0 22.5 1.0
SD C:MET190 3.5 23.7 1.0
CE2 D:FY334 3.6 29.9 1.0
CG D:FY334 3.6 29.9 1.0
CA C:GLY82 4.0 23.9 1.0
O C:HOH362 4.0 47.4 1.0
CD2 D:FY334 4.1 28.9 1.0
CG D:PRO36 4.4 20.3 1.0
ND2 C:ASN194 4.4 22.3 1.0
CA C:ALA85 4.5 22.1 1.0
CE C:MET190 4.5 23.4 1.0
CD D:PRO36 4.5 20.2 1.0
F5 D:FY334 4.7 29.3 1.0
C C:GLY82 4.9 23.4 1.0
O C:GLY82 4.9 23.1 1.0
CB D:ALA15 4.9 23.7 1.0
CB D:FY334 4.9 29.0 1.0
N C:GLY82 5.0 25.0 1.0

Fluorine binding site 6 out of 12 in 7qsc

Go back to Fluorine Binding Sites List in 7qsc
Fluorine binding site 6 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F34

b:29.3
occ:1.00
F5 D:FY334 0.0 29.3 1.0
CE2 D:FY334 1.4 29.9 1.0
CZ D:FY334 2.4 31.5 1.0
CD2 D:FY334 2.4 28.9 1.0
OH D:FY334 2.7 28.4 1.0
O2A D:GDP201 2.8 25.6 1.0
F3 D:MGF202 3.0 15.9 1.0
O D:HOH315 3.1 15.5 1.0
O3B D:GDP201 3.2 22.1 1.0
O3A D:GDP201 3.3 23.8 1.0
F1 D:MGF202 3.5 17.9 1.0
MG D:MGF202 3.5 18.0 1.0
CE1 D:FY334 3.6 32.5 1.0
PA D:GDP201 3.6 23.7 1.0
CG D:FY334 3.6 29.9 1.0
O D:VAL35 3.6 24.6 1.0
PB D:GDP201 3.7 22.9 1.0
CA D:PRO36 3.8 19.7 1.0
O1B D:GDP201 3.9 20.3 1.0
C D:VAL35 3.9 23.2 1.0
N D:PRO36 3.9 20.8 1.0
MG D:MG203 4.1 18.9 1.0
CD1 D:FY334 4.1 31.9 1.0
C5' D:GDP201 4.2 24.7 1.0
O5' D:GDP201 4.3 23.4 1.0
CA D:ALA15 4.3 23.0 1.0
N D:ALA15 4.5 23.2 1.0
N D:VAL35 4.6 24.3 1.0
CB D:PRO36 4.6 19.5 1.0
F3 D:FY334 4.7 35.2 1.0
N D:THR37 4.7 18.2 1.0
CD D:PRO36 4.8 20.2 1.0
C D:PRO36 4.8 18.7 1.0
CB D:ALA15 4.8 23.7 1.0
O D:HOH348 4.9 26.9 1.0
CG D:PRO36 4.9 20.3 1.0
CA D:VAL35 4.9 23.8 1.0
CB D:FY334 4.9 29.0 1.0
O1A D:GDP201 4.9 23.9 1.0

Fluorine binding site 7 out of 12 in 7qsc

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Fluorine binding site 7 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:15.9
occ:1.00
F1 B:MGF202 0.0 15.9 1.0
MG B:MGF202 1.8 16.8 1.0
MG B:MG203 1.9 17.9 1.0
O B:HOH333 2.6 18.2 1.0
N B:THR37 2.8 18.4 1.0
O B:HOH310 2.8 12.6 1.0
OG1 B:THR37 2.9 18.1 1.0
O3B B:GDP201 2.9 21.0 1.0
O B:HOH307 3.0 18.1 1.0
O2B B:GDP201 3.1 18.9 1.0
CB B:THR37 3.1 18.4 1.0
F2 B:MGF202 3.1 14.4 1.0
F3 B:MGF202 3.3 15.8 1.0
CA B:THR37 3.5 18.4 1.0
PB B:GDP201 3.5 20.6 1.0
F5 B:FY334 3.6 26.1 1.0
C B:PRO36 3.7 19.0 1.0
CA B:PRO36 3.8 19.7 1.0
OG1 B:THR19 4.0 23.1 1.0
O B:THR37 4.1 18.6 1.0
C B:THR37 4.3 19.1 1.0
O B:THR60 4.3 17.6 1.0
O B:VAL35 4.4 19.9 1.0
CG2 B:THR37 4.5 18.6 1.0
O2A B:GDP201 4.6 22.9 1.0
O1B B:GDP201 4.6 23.4 1.0
CB B:PRO36 4.7 19.6 1.0
O3A B:GDP201 4.7 20.5 1.0
CE B:LYS18 4.8 22.5 1.0
NZ B:LYS18 4.9 22.8 1.0
O B:PRO36 4.9 18.4 1.0
N B:PRO36 4.9 20.2 1.0
CE2 B:FY334 4.9 27.5 1.0

Fluorine binding site 8 out of 12 in 7qsc

Go back to Fluorine Binding Sites List in 7qsc
Fluorine binding site 8 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:14.4
occ:1.00
F2 B:MGF202 0.0 14.4 1.0
MG B:MGF202 1.9 16.8 1.0
O B:HOH333 2.6 18.2 1.0
O3B B:GDP201 2.7 21.0 1.0
NZ B:LYS18 2.7 22.8 1.0
N B:GLY62 2.8 20.1 1.0
F1 B:MGF202 3.1 15.9 1.0
F3 B:MGF202 3.2 15.8 1.0
CE B:LYS18 3.2 22.5 1.0
CA B:GLY62 3.3 21.6 1.0
CA B:GLY14 3.4 23.0 1.0
PB B:GDP201 3.8 20.6 1.0
OE1 B:GLN63 3.8 19.9 1.0
N B:ALA15 3.8 21.9 1.0
C B:ALA61 3.8 19.9 1.0
O1B B:GDP201 4.0 23.4 1.0
N B:GLY14 4.1 21.9 1.0
O B:HOH310 4.1 12.6 1.0
CA B:ALA61 4.1 19.2 1.0
O B:THR60 4.1 17.6 1.0
C B:GLY14 4.1 22.6 1.0
O B:ASP13 4.1 20.7 1.0
NE2 B:GLN63 4.3 21.8 1.0
C B:GLY62 4.3 22.9 1.0
CD B:GLN63 4.3 20.8 1.0
N B:GLN63 4.4 21.9 1.0
C B:ASP13 4.4 21.3 1.0
O2B B:GDP201 4.4 18.9 1.0
O B:GLY12 4.5 18.5 1.0
MG B:MG203 4.5 17.9 1.0
CD B:LYS18 4.7 22.3 1.0
C B:THR60 5.0 17.4 1.0
O B:ALA61 5.0 19.0 1.0

Fluorine binding site 9 out of 12 in 7qsc

Go back to Fluorine Binding Sites List in 7qsc
Fluorine binding site 9 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:15.8
occ:1.00
F3 B:MGF202 0.0 15.8 1.0
MG B:MGF202 1.8 16.8 1.0
OH B:FY334 2.5 27.1 1.0
O3B B:GDP201 2.9 21.0 1.0
NE2 B:GLN63 2.9 21.8 1.0
O B:HOH333 2.9 18.2 1.0
F5 B:FY334 3.0 26.1 1.0
F2 B:MGF202 3.2 14.4 1.0
F1 B:MGF202 3.3 15.9 1.0
N B:ALA15 3.4 21.9 1.0
CZ B:FY334 3.5 28.3 1.0
CB B:PRO36 3.5 19.6 1.0
CA B:PRO36 3.6 19.7 1.0
CE2 B:FY334 3.7 27.5 1.0
CD B:GLN63 3.8 20.8 1.0
OE1 B:GLN63 3.8 19.9 1.0
CA B:GLY14 3.9 23.0 1.0
C B:GLY14 4.1 22.6 1.0
CA B:ALA15 4.2 22.1 1.0
CG B:PRO36 4.2 19.9 1.0
PB B:GDP201 4.3 20.6 1.0
N B:THR37 4.5 18.4 1.0
O A:ALA85 4.6 23.3 1.0
N B:PRO36 4.6 20.2 1.0
C B:PRO36 4.6 19.0 1.0
CB B:ALA15 4.6 22.6 1.0
CB A:ALA85 4.7 23.5 1.0
CE1 B:FY334 4.7 30.2 1.0
O3A B:GDP201 4.9 20.5 1.0
MG B:MG203 4.9 17.9 1.0
O2B B:GDP201 5.0 18.9 1.0
O B:HOH307 5.0 18.1 1.0

Fluorine binding site 10 out of 12 in 7qsc

Go back to Fluorine Binding Sites List in 7qsc
Fluorine binding site 10 out of 12 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F202

b:17.9
occ:1.00
F1 D:MGF202 0.0 17.9 1.0
MG D:MG203 1.8 18.9 1.0
MG D:MGF202 1.8 18.0 1.0
O D:HOH334 2.7 23.7 1.0
N D:THR37 2.8 18.2 1.0
O3B D:GDP201 2.8 22.1 1.0
O D:HOH324 2.9 14.2 1.0
O D:HOH315 2.9 15.5 1.0
O1B D:GDP201 3.0 20.3 1.0
OG1 D:THR37 3.0 16.7 1.0
CB D:THR37 3.1 17.0 1.0
F3 D:MGF202 3.2 15.9 1.0
F2 D:MGF202 3.2 15.5 1.0
PB D:GDP201 3.5 22.9 1.0
F5 D:FY334 3.5 29.3 1.0
CA D:THR37 3.5 17.2 1.0
C D:PRO36 3.7 18.7 1.0
CA D:PRO36 3.8 19.7 1.0
OG1 D:THR19 4.0 22.1 1.0
O D:THR37 4.1 17.8 1.0
C D:THR37 4.3 17.4 1.0
O D:VAL35 4.4 24.6 1.0
O D:THR60 4.4 17.4 1.0
O3A D:GDP201 4.5 23.8 1.0
CG2 D:THR37 4.5 16.7 1.0
O2A D:GDP201 4.6 25.6 1.0
CB D:PRO36 4.6 19.5 1.0
O2B D:GDP201 4.7 24.7 1.0
CE2 D:FY334 4.7 29.9 1.0
N D:PRO36 4.9 20.8 1.0
O D:PRO36 4.9 17.3 1.0
NZ D:LYS18 4.9 21.9 1.0
CE D:LYS18 4.9 21.2 1.0
OH D:FY334 5.0 28.4 1.0

Reference:

P.Baumann, Y.Jin. Gtpase in Complex with Gdp.MGF3- To Be Published.
Page generated: Tue Jul 15 23:18:51 2025

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