Atomistry » Fluorine » PDB 5lz5-5msa » 5m6x
Atomistry »
  Fluorine »
    PDB 5lz5-5msa »
      5m6x »

Fluorine in PDB 5m6x: Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human

Protein crystallography data

The structure of Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human, PDB code: 5m6x was solved by E.Pellegrini, M.W.Bowler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 76.55 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.470, 66.690, 76.890, 90.00, 95.41, 90.00
R / Rfree (%) 22.4 / 27.2

Other elements in 5m6x:

The structure of Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human (pdb code 5m6x). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human, PDB code: 5m6x:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5m6x

Go back to Fluorine Binding Sites List in 5m6x
Fluorine binding site 1 out of 6 in the Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human


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 Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F203

b:11.8
occ:1.00
F1 B:MGF203 0.0 11.8 1.0
MG B:MGF203 1.9 11.7 1.0
O B:HOH309 2.6 12.6 1.0
NZ B:LYS18 2.7 14.7 1.0
N B:GLY62 2.7 16.8 1.0
O3B B:GDP202 3.1 13.4 1.0
CA B:GLY62 3.2 17.2 1.0
F3 B:MGF203 3.3 11.5 1.0
F2 B:MGF203 3.3 11.6 1.0
CE B:LYS18 3.3 14.8 1.0
CA B:GLY14 3.5 16.0 1.0
NE2 B:GLN63 3.8 18.1 1.0
O1B B:GDP202 3.8 13.4 1.0
C B:ALA61 3.8 16.5 1.0
PB B:GDP202 3.9 13.3 1.0
OE1 B:GLN63 3.9 18.2 1.0
N B:ALA15 3.9 15.6 1.0
CD B:GLN63 4.1 18.1 1.0
O B:ASP13 4.1 16.1 1.0
C B:GLY62 4.2 17.4 1.0
N B:GLY14 4.2 16.0 1.0
CA B:ALA61 4.2 16.5 1.0
O B:HOH306 4.2 10.6 1.0
C B:GLY14 4.2 15.7 1.0
O B:THR60 4.3 16.5 1.0
N B:GLN63 4.4 17.7 1.0
C B:ASP13 4.4 16.0 1.0
O2B B:GDP202 4.5 13.3 1.0
MG B:MG201 4.6 15.4 1.0
O B:GLY12 4.6 16.2 1.0
CD B:LYS18 4.8 14.8 1.0
O B:ALA61 4.9 16.2 1.0

Fluorine binding site 2 out of 6 in 5m6x

Go back to Fluorine Binding Sites List in 5m6x
Fluorine binding site 2 out of 6 in the Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human


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 Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F203

b:11.6
occ:1.00
F2 B:MGF203 0.0 11.6 1.0
MG B:MG201 1.9 15.4 1.0
MG B:MGF203 1.9 11.7 1.0
O B:HOH309 2.6 12.6 1.0
N B:THR37 2.7 17.3 1.0
O B:HOH306 2.7 10.6 1.0
O3B B:GDP202 2.9 13.4 1.0
OG1 B:THR37 2.9 17.1 1.0
O B:HOH301 3.0 20.4 1.0
O2B B:GDP202 3.1 13.3 1.0
CB B:THR37 3.1 17.3 1.0
F1 B:MGF203 3.3 11.8 1.0
F3 B:MGF203 3.3 11.5 1.0
CA B:THR37 3.4 17.5 1.0
PB B:GDP202 3.5 13.3 1.0
C B:PRO36 3.7 17.5 1.0
CA B:PRO36 3.8 17.7 1.0
O B:THR37 3.9 17.4 1.0
OG1 B:THR19 3.9 15.9 1.0
C B:THR37 4.1 17.7 1.0
O B:VAL35 4.3 18.5 1.0
O B:THR60 4.4 16.5 1.0
O1B B:GDP202 4.5 13.4 1.0
O2A B:GDP202 4.5 13.4 1.0
CG2 B:THR37 4.6 17.4 1.0
CB B:PRO36 4.7 17.6 1.0
O3A B:GDP202 4.8 13.4 1.0
O B:PRO36 4.9 17.4 1.0
CE B:LYS18 4.9 14.8 1.0
NZ B:LYS18 4.9 14.7 1.0
N B:PRO36 4.9 18.0 1.0
CA B:ALA61 5.0 16.5 1.0

Fluorine binding site 3 out of 6 in 5m6x

Go back to Fluorine Binding Sites List in 5m6x
Fluorine binding site 3 out of 6 in the Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human


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 Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F203

b:11.5
occ:1.00
F3 B:MGF203 0.0 11.5 1.0
MG B:MGF203 1.9 11.7 1.0
OH B:TYR34 2.5 19.9 1.0
NE2 B:GLN63 2.7 18.1 1.0
O B:HOH309 2.7 12.6 1.0
O3B B:GDP202 2.8 13.4 1.0
F1 B:MGF203 3.3 11.8 1.0
F2 B:MGF203 3.3 11.6 1.0
CB B:PRO36 3.4 17.6 1.0
CA B:PRO36 3.5 17.7 1.0
CZ B:TYR34 3.5 20.1 1.0
CE1 B:TYR34 3.7 20.1 1.0
N B:ALA15 3.7 15.6 1.0
CD B:GLN63 3.8 18.1 1.0
OE1 B:GLN63 4.1 18.2 1.0
PB B:GDP202 4.3 13.3 1.0
CA B:GLY14 4.3 16.0 1.0
N B:THR37 4.4 17.3 1.0
N B:PRO36 4.4 18.0 1.0
CG B:PRO36 4.4 17.7 1.0
C B:GLY14 4.4 15.7 1.0
CA B:ALA15 4.4 15.7 1.0
C B:PRO36 4.4 17.5 1.0
O A:ALA85 4.7 21.1 1.0
CE2 B:TYR34 4.7 20.3 1.0
CB A:ALA85 4.8 20.4 1.0
MG B:MG201 4.8 15.4 1.0
CB B:ALA15 4.8 15.6 1.0
CD B:PRO36 4.9 17.9 1.0
O B:HOH301 5.0 20.4 1.0
O2B B:GDP202 5.0 13.3 1.0

Fluorine binding site 4 out of 6 in 5m6x

Go back to Fluorine Binding Sites List in 5m6x
Fluorine binding site 4 out of 6 in the Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F203

b:12.6
occ:1.00
F1 I:MGF203 0.0 12.6 1.0
MG I:MGF203 1.9 12.8 1.0
O I:HOH311 2.6 16.0 1.0
N I:GLY62 2.7 14.3 1.0
NZ I:LYS18 2.7 17.4 1.0
O3B I:GDP202 3.0 17.7 1.0
CA I:GLY62 3.1 14.5 1.0
F3 I:MGF203 3.3 13.0 1.0
F2 I:MGF203 3.3 12.8 1.0
CE I:LYS18 3.4 17.4 1.0
CA I:GLY14 3.5 19.5 1.0
N I:ALA15 3.8 19.2 1.0
C I:ALA61 3.8 14.1 1.0
PB I:GDP202 3.8 17.7 1.0
O2B I:GDP202 3.8 17.6 1.0
OE1 I:GLN63 3.9 15.4 1.0
NE2 I:GLN63 3.9 15.3 1.0
O I:HOH314 4.0 15.3 1.0
C I:GLY62 4.1 14.7 1.0
CD I:GLN63 4.1 15.2 1.0
O I:ASP13 4.2 20.2 1.0
CA I:ALA61 4.2 14.1 1.0
C I:GLY14 4.2 19.3 1.0
N I:GLY14 4.2 19.7 1.0
N I:GLN63 4.3 14.9 1.0
O I:THR60 4.3 14.1 1.0
MG I:MG201 4.3 13.3 1.0
O1B I:GDP202 4.5 17.4 1.0
C I:ASP13 4.5 19.9 1.0
O I:GLY12 4.6 19.2 1.0
CD I:LYS18 4.9 17.5 1.0
O I:ALA61 4.9 14.0 1.0
CA I:ALA15 5.0 19.1 1.0

Fluorine binding site 5 out of 6 in 5m6x

Go back to Fluorine Binding Sites List in 5m6x
Fluorine binding site 5 out of 6 in the Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F203

b:12.8
occ:1.00
F2 I:MGF203 0.0 12.8 1.0
MG I:MGF203 1.9 12.8 1.0
OH I:TYR34 2.5 19.5 1.0
NE2 I:GLN63 2.7 15.3 1.0
O3B I:GDP202 2.7 17.7 1.0
O I:HOH311 3.0 16.0 1.0
F3 I:MGF203 3.3 13.0 1.0
F1 I:MGF203 3.3 12.6 1.0
CB I:PRO36 3.4 17.4 1.0
CZ I:TYR34 3.5 20.1 1.0
CA I:PRO36 3.5 17.5 1.0
N I:ALA15 3.5 19.2 1.0
CE1 I:TYR34 3.6 20.0 1.0
CD I:GLN63 3.8 15.2 1.0
CA I:ALA15 4.2 19.1 1.0
OE1 I:GLN63 4.2 15.4 1.0
PB I:GDP202 4.2 17.7 1.0
C I:GLY14 4.3 19.3 1.0
CA I:GLY14 4.3 19.5 1.0
N I:THR37 4.4 17.3 1.0
CB I:ALA15 4.4 18.9 1.0
C I:PRO36 4.5 17.4 1.0
O H:ALA85 4.5 21.2 1.0
N I:PRO36 4.5 17.5 1.0
CG I:PRO36 4.5 17.4 1.0
MG I:MG201 4.7 13.3 1.0
CE2 I:TYR34 4.8 20.1 1.0
CB H:ALA85 4.8 21.1 1.0
CD1 I:TYR34 4.9 20.1 1.0
O3A I:GDP202 4.9 17.7 1.0
O1B I:GDP202 5.0 17.4 1.0
O I:HOH306 5.0 11.0 1.0
CD I:PRO36 5.0 17.5 1.0

Fluorine binding site 6 out of 6 in 5m6x

Go back to Fluorine Binding Sites List in 5m6x
Fluorine binding site 6 out of 6 in the Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human Rhogap Mutated in Its Arginine Finger (R85A) in Complex with Rhoa.Gdp.MGF3- Human within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F203

b:13.0
occ:1.00
F3 I:MGF203 0.0 13.0 1.0
MG I:MG201 1.8 13.3 1.0
MG I:MGF203 1.9 12.8 1.0
O I:HOH311 2.5 16.0 1.0
N I:THR37 2.6 17.3 1.0
O I:HOH314 2.6 15.3 1.0
OG1 I:THR37 2.7 17.2 1.0
O3B I:GDP202 2.9 17.7 1.0
O I:HOH306 2.9 11.0 1.0
CB I:THR37 3.0 17.4 1.0
O1B I:GDP202 3.2 17.4 1.0
F1 I:MGF203 3.3 12.6 1.0
F2 I:MGF203 3.3 12.8 1.0
CA I:THR37 3.4 17.4 1.0
PB I:GDP202 3.5 17.7 1.0
C I:PRO36 3.6 17.4 1.0
CA I:PRO36 3.7 17.5 1.0
OG1 I:THR19 4.0 17.6 1.0
O I:THR37 4.1 17.5 1.0
C I:THR37 4.2 17.5 1.0
O I:VAL35 4.3 17.6 1.0
CG2 I:THR37 4.5 17.4 1.0
O I:THR60 4.5 14.1 1.0
CB I:PRO36 4.6 17.4 1.0
O2B I:GDP202 4.6 17.6 1.0
O2A I:GDP202 4.6 17.5 1.0
O I:PRO36 4.7 17.5 1.0
O3A I:GDP202 4.8 17.7 1.0
N I:PRO36 4.8 17.5 1.0
NZ I:LYS18 4.9 17.4 1.0
C I:VAL35 5.0 17.8 1.0
CE1 I:TYR34 5.0 20.0 1.0

Reference:

Y.Jin, R.W.Molt, E.Pellegrini, M.J.Cliff, M.W.Bowler, N.G.J.Richards, G.M.Blackburn, J.P.Waltho. Assessing the Influence of Mutation on Gtpase Transition States By Using X-Ray Crystallography, (19) F uc(Nmr), and Dft Approaches. Angew. Chem. Int. Ed. Engl. V. 56 9732 2017.
ISSN: ESSN 1521-3773
PubMed: 28498638
DOI: 10.1002/ANIE.201703074
Page generated: Sun Dec 13 12:27:44 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy