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Fluorine in PDB 8cnj: Hras(1-166) in Complex with Gdp and BEF3-

Enzymatic activity of Hras(1-166) in Complex with Gdp and BEF3-

All present enzymatic activity of Hras(1-166) in Complex with Gdp and BEF3-:
3.6.5.2;

Protein crystallography data

The structure of Hras(1-166) in Complex with Gdp and BEF3-, PDB code: 8cnj 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) 48.59 / 1.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.433, 51.957, 136.149, 90, 90, 90
R / Rfree (%) 14.3 / 17.9

Other elements in 8cnj:

The structure of Hras(1-166) in Complex with Gdp and BEF3- also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Hras(1-166) in Complex with Gdp and BEF3- (pdb code 8cnj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Hras(1-166) in Complex with Gdp and BEF3-, PDB code: 8cnj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8cnj

Go back to Fluorine Binding Sites List in 8cnj
Fluorine binding site 1 out of 6 in the Hras(1-166) in Complex with Gdp and BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hras(1-166) in Complex with Gdp and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:12.1
occ:1.00
 F1 A:BEF202 0.0 12.1 1.0
BE A:BEF202 1.6 11.6 1.0
F2 A:BEF202 2.6 11.6 1.0
NZ A:LYS16 2.6 11.7 1.0
F3 A:BEF202 2.6 11.5 1.0
O3B A:GDP201 2.6 9.8 1.0
N A:GLY60 2.7 12.6 1.0
CA A:GLY60 3.1 13.9 1.0
O A:HOH383 3.4 12.5 1.0
CE A:LYS16 3.4 11.9 1.0
CA A:GLY12 3.4 12.2 1.0
PB A:GDP201 3.6 10.4 1.0
N A:GLN61 3.8 16.2 1.0
C A:GLY60 3.8 15.4 1.0
O2B A:GDP201 3.9 10.5 1.0
C A:ALA59 3.9 12.5 1.0
O A:HOH315 4.0 11.5 1.0
O A:THR58 4.0 11.4 1.0
O A:ALA11 4.0 12.4 1.0
N A:GLY13 4.0 11.4 1.0
N A:GLY12 4.1 12.5 1.0
O1B A:GDP201 4.1 10.4 1.0
MG A:MG203 4.1 11.2 1.0
C A:GLY12 4.3 12.6 1.0
CA A:ALA59 4.3 12.7 1.0
C A:ALA11 4.3 12.0 1.0
O A:GLY10 4.5 12.2 1.0
OH A:TYR32 4.5 12.9 1.0
O A:GLY60 4.8 17.1 1.0
CD A:LYS16 4.8 11.5 1.0
N A:THR35 4.9 11.8 1.0
O A:ALA59 4.9 15.9 1.0
CG A:GLN61 5.0 20.0 1.0
C A:THR58 5.0 11.3 1.0
O3A A:GDP201 5.0 10.1 1.0

Fluorine binding site 2 out of 6 in 8cnj

Go back to Fluorine Binding Sites List in 8cnj
Fluorine binding site 2 out of 6 in the Hras(1-166) in Complex with Gdp and BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hras(1-166) in Complex with Gdp and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:11.6
occ:1.00
 F2 A:BEF202 0.0 11.6 1.0
BE A:BEF202 1.6 11.6 1.0
OH A:TYR32 2.5 12.9 1.0
F1 A:BEF202 2.6 12.1 1.0
F3 A:BEF202 2.6 11.5 1.0
O3B A:GDP201 2.6 9.8 1.0
O A:HOH383 2.8 12.5 1.0
CE1 A:TYR32 3.3 12.0 1.0
CZ A:TYR32 3.3 12.6 1.0
CA A:PRO34 3.4 11.1 1.0
CB A:PRO34 3.6 11.9 1.0
CG A:GLN61 3.6 20.0 1.0
N A:THR35 3.7 11.8 1.0
CA A:GLY12 3.9 12.2 1.0
N A:GLY13 4.0 11.4 1.0
C A:PRO34 4.0 11.7 1.0
PB A:GDP201 4.1 10.4 1.0
O A:HOH342 4.3 11.6 1.0
N A:GLN61 4.3 16.2 1.0
MG A:MG203 4.3 11.2 1.0
CG A:PRO34 4.4 12.8 1.0
CB A:GLN61 4.5 18.3 1.0
C A:GLY12 4.5 12.6 1.0
N A:GLY60 4.5 12.6 1.0
NE2 A:GLN61 4.5 20.1 1.0
N A:PRO34 4.5 11.7 1.0
CD1 A:TYR32 4.6 11.6 1.0
O1B A:GDP201 4.6 10.4 1.0
CE2 A:TYR32 4.6 13.4 1.0
CD A:GLN61 4.6 21.2 1.0
CA A:THR35 4.8 11.9 1.0
O3A A:GDP201 4.9 10.1 1.0
O A:THR35 4.9 12.7 1.0
CA A:GLY60 5.0 13.9 1.0
NZ A:LYS16 5.0 11.7 1.0
CA A:GLY13 5.0 11.3 1.0
CA A:GLN61 5.0 18.4 1.0
C A:GLY60 5.0 15.4 1.0
OG1 A:THR35 5.0 12.5 1.0

Fluorine binding site 3 out of 6 in 8cnj

Go back to Fluorine Binding Sites List in 8cnj
Fluorine binding site 3 out of 6 in the Hras(1-166) in Complex with Gdp and BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Hras(1-166) in Complex with Gdp and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:11.5
occ:1.00
 F3 A:BEF202 0.0 11.5 1.0
BE A:BEF202 1.6 11.6 1.0
MG A:MG203 1.9 11.2 1.0
F2 A:BEF202 2.6 11.6 1.0
F1 A:BEF202 2.6 12.1 1.0
O3B A:GDP201 2.6 9.8 1.0
OG1 A:THR35 2.7 12.5 1.0
O A:HOH342 2.8 11.6 1.0
O A:HOH315 2.8 11.5 1.0
N A:THR35 2.9 11.8 1.0
O1B A:GDP201 2.9 10.4 1.0
CB A:THR35 3.0 12.3 1.0
PB A:GDP201 3.3 10.4 1.0
CA A:THR35 3.5 11.9 1.0
O A:HOH383 3.7 12.5 1.0
C A:PRO34 3.9 11.7 1.0
OG A:SER17 3.9 10.5 1.0
CA A:PRO34 4.0 11.1 1.0
O A:THR58 4.1 11.4 1.0
NZ A:LYS16 4.4 11.7 1.0
O2B A:GDP201 4.4 10.5 1.0
CG2 A:THR35 4.4 12.0 1.0
O A:ASP33 4.4 11.7 1.0
O3A A:GDP201 4.4 10.1 1.0
O A:THR35 4.5 12.7 1.0
CE1 A:TYR32 4.5 12.0 1.0
C A:THR35 4.5 12.4 1.0
N A:GLY60 4.6 12.6 1.0
CE A:LYS16 4.6 11.9 1.0
O1A A:GDP201 4.8 11.1 1.0
OH A:TYR32 4.8 12.9 1.0
CA A:ALA59 4.9 12.7 1.0
CB A:SER17 5.0 10.3 1.0

Fluorine binding site 4 out of 6 in 8cnj

Go back to Fluorine Binding Sites List in 8cnj
Fluorine binding site 4 out of 6 in the Hras(1-166) in Complex with Gdp and BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Hras(1-166) in Complex with Gdp and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:14.1
occ:1.00
 F1 B:BEF202 0.0 14.1 1.0
BE B:BEF202 1.6 13.7 1.0
OH B:TYR32 2.5 15.4 1.0
F3 B:BEF202 2.5 14.3 1.0
F2 B:BEF202 2.6 14.1 1.0
O2B B:GDP201 2.6 12.4 1.0
O B:HOH359 2.8 15.4 1.0
CE1 B:TYR32 3.3 15.3 1.0
CA B:PRO34 3.3 15.5 1.0
CZ B:TYR32 3.3 15.0 1.0
CB B:PRO34 3.4 16.7 1.0
N B:THR35 3.7 14.5 1.0
CG B:GLN61 3.8 27.4 1.0
CA B:GLY12 3.9 14.3 1.0
N B:GLY13 4.0 13.9 1.0
C B:PRO34 4.0 14.8 1.0
PB B:GDP201 4.1 13.1 1.0
CG B:PRO34 4.2 18.1 1.0
O B:HOH325 4.3 13.9 1.0
MG B:MG204 4.3 13.0 1.0
N B:GLN61 4.4 21.5 1.0
N B:PRO34 4.4 14.8 1.0
C B:GLY12 4.4 14.7 1.0
NE2 B:GLN61 4.4 31.6 1.0
N B:GLY60 4.5 16.7 1.0
CD1 B:TYR32 4.6 15.4 1.0
O3B B:GDP201 4.6 12.8 1.0
CE2 B:TYR32 4.6 16.2 1.0
CD B:GLN61 4.7 29.6 1.0
CB B:GLN61 4.7 25.5 1.0
CA B:GLY60 4.9 18.2 1.0
CA B:THR35 4.9 13.8 1.0
O B:THR35 4.9 15.0 1.0
O3A B:GDP201 4.9 12.4 1.0
CA B:GLY13 4.9 14.3 1.0
NZ B:LYS16 5.0 13.8 1.0
C B:GLY60 5.0 20.9 1.0
O1B B:GDP201 5.0 13.7 1.0
O B:ASP33 5.0 15.0 1.0

Fluorine binding site 5 out of 6 in 8cnj

Go back to Fluorine Binding Sites List in 8cnj
Fluorine binding site 5 out of 6 in the Hras(1-166) in Complex with Gdp and BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Hras(1-166) in Complex with Gdp and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:14.1
occ:1.00
 F2 B:BEF202 0.0 14.1 1.0
BE B:BEF202 1.6 13.7 1.0
MG B:MG204 1.9 13.0 1.0
F1 B:BEF202 2.6 14.1 1.0
F3 B:BEF202 2.6 14.3 1.0
O2B B:GDP201 2.7 12.4 1.0
OG1 B:THR35 2.7 13.4 1.0
O B:HOH325 2.8 13.9 1.0
O B:HOH313 2.8 13.6 1.0
N B:THR35 2.9 14.5 1.0
O3B B:GDP201 2.9 12.8 1.0
CB B:THR35 3.0 14.2 1.0
PB B:GDP201 3.3 13.1 1.0
CA B:THR35 3.5 13.8 1.0
O B:HOH359 3.6 15.4 1.0
C B:PRO34 3.9 14.8 1.0
OG B:SER17 3.9 12.7 1.0
CA B:PRO34 4.0 15.5 1.0
O B:THR58 4.0 14.1 1.0
O1B B:GDP201 4.3 13.7 1.0
NZ B:LYS16 4.3 13.8 1.0
O B:THR35 4.4 15.0 1.0
CG2 B:THR35 4.4 14.1 1.0
C B:THR35 4.4 14.3 1.0
N B:GLY60 4.5 16.7 1.0
O3A B:GDP201 4.5 12.4 1.0
O B:ASP33 4.5 15.0 1.0
CE1 B:TYR32 4.6 15.3 1.0
CE B:LYS16 4.6 14.0 1.0
O2A B:GDP201 4.7 14.0 1.0
CB B:PRO34 4.9 16.7 1.0
CA B:ALA59 4.9 15.3 1.0
OH B:TYR32 4.9 15.4 1.0
CB B:SER17 5.0 12.5 1.0

Fluorine binding site 6 out of 6 in 8cnj

Go back to Fluorine Binding Sites List in 8cnj
Fluorine binding site 6 out of 6 in the Hras(1-166) in Complex with Gdp and BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Hras(1-166) in Complex with Gdp and BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:14.3
occ:1.00
 F3 B:BEF202 0.0 14.3 1.0
BE B:BEF202 1.6 13.7 1.0
F1 B:BEF202 2.5 14.1 1.0
NZ B:LYS16 2.6 13.8 1.0
F2 B:BEF202 2.6 14.1 1.0
N B:GLY60 2.7 16.7 1.0
O2B B:GDP201 2.7 12.4 1.0
CA B:GLY60 3.0 18.2 1.0
O B:HOH359 3.2 15.4 1.0
CA B:GLY12 3.4 14.3 1.0
CE B:LYS16 3.4 14.0 1.0
PB B:GDP201 3.6 13.1 1.0
C B:ALA59 3.8 15.9 1.0
O1B B:GDP201 3.8 13.7 1.0
C B:GLY60 3.9 20.9 1.0
N B:GLN61 3.9 21.5 1.0
O B:ALA11 4.0 14.9 1.0
N B:GLY13 4.0 13.9 1.0
N B:GLY12 4.0 14.8 1.0
O B:HOH313 4.1 13.6 1.0
O B:THR58 4.1 14.1 1.0
O3B B:GDP201 4.1 12.8 1.0
MG B:MG204 4.1 13.0 1.0
C B:GLY12 4.2 14.7 1.0
C B:ALA11 4.3 14.5 1.0
CA B:ALA59 4.3 15.3 1.0
O B:GLY10 4.5 14.6 1.0
OH B:TYR32 4.5 15.4 1.0
O B:ALA59 4.8 17.7 1.0
O B:GLY60 4.9 22.3 1.0
N B:THR35 4.9 14.5 1.0
CD B:LYS16 4.9 13.3 1.0

Reference:

P.Baumann, Y.Jin. Hras(1-166) in Complex with Gdp and BEF3- To Be Published.
Page generated: Fri Aug 2 17:14:03 2024

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