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Fluorine in PDB 2gj8: Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+

Protein crystallography data

The structure of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+, PDB code: 2gj8 was solved by A.Scrima, A.Wittinghofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.540, 70.227, 91.300, 90.00, 95.51, 90.00
R / Rfree (%) 20.5 / 25.6

Other elements in 2gj8:

The structure of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Aluminium (Al) 4 atoms
Potassium (K) 4 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Fluorine atom in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ (pdb code 2gj8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 16 binding sites of Fluorine where determined in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+, PDB code: 2gj8:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 16 in 2gj8

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Fluorine binding site 1 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:10.5
occ:1.00
F1 A:ALF601 0.0 10.5 1.0
AL A:ALF601 1.8 13.0 1.0
F4 A:ALF601 2.5 13.2 1.0
F3 A:ALF601 2.6 12.5 1.0
NZ A:LYS229 2.6 11.3 1.0
O A:HOH652 2.7 11.4 1.0
O2B A:GDP650 2.7 9.0 1.0
N A:GLY273 2.8 11.5 1.0
CA A:GLY273 3.1 13.6 1.0
CE A:LYS229 3.4 11.7 1.0
O1B A:GDP650 3.4 10.1 1.0
PB A:GDP650 3.5 9.8 1.0
CA A:PRO225 3.5 10.3 1.0
F2 A:ALF601 3.6 12.0 1.0
O3B A:GDP650 3.9 7.0 1.0
O A:HOH655 3.9 11.0 1.0
N A:ASN226 3.9 10.7 1.0
O A:HOH651 4.0 11.7 1.0
C A:ALA272 4.0 13.3 1.0
MG A:MG602 4.1 11.7 1.0
C A:PRO225 4.2 10.3 1.0
O A:ARG224 4.3 10.8 1.0
O A:THR271 4.3 12.5 1.0
CB A:PRO225 4.3 10.8 1.0
N A:PRO225 4.4 11.0 1.0
C A:GLY273 4.5 13.6 1.0
CA A:ALA272 4.5 12.4 1.0
C A:ARG224 4.7 10.6 1.0
CD A:LYS229 4.8 11.2 1.0
O A:GLY273 4.9 12.6 1.0
O3A A:GDP650 4.9 7.9 1.0
CG A:PRO225 4.9 11.2 1.0
O A:ALA272 5.0 11.4 1.0
N A:GLY249 5.0 10.5 1.0

Fluorine binding site 2 out of 16 in 2gj8

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Fluorine binding site 2 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:12.0
occ:1.00
F2 A:ALF601 0.0 12.0 1.0
AL A:ALF601 1.8 13.0 1.0
F4 A:ALF601 2.4 13.2 1.0
K A:K603 2.6 10.8 1.0
F3 A:ALF601 2.6 12.5 1.0
N A:THR250 2.6 10.7 1.0
O2B A:GDP650 2.7 9.0 1.0
O A:HOH652 2.7 11.4 1.0
CB A:THR250 3.1 10.9 1.0
N A:GLY249 3.2 10.5 1.0
CA A:THR250 3.3 11.7 1.0
O A:ILE247 3.4 10.8 1.0
N A:THR251 3.4 11.7 1.0
OG1 A:THR250 3.5 13.1 1.0
O A:HOH654 3.5 10.5 1.0
F1 A:ALF601 3.6 10.5 1.0
C A:GLY249 3.6 12.3 1.0
CA A:GLY249 3.8 10.9 1.0
C A:THR250 3.9 11.4 1.0
MG A:MG602 3.9 11.7 1.0
C A:ALA248 4.0 11.8 1.0
PB A:GDP650 4.0 9.8 1.0
O3B A:GDP650 4.3 7.0 1.0
CA A:ALA248 4.3 12.1 1.0
O2A A:GDP650 4.3 11.1 1.0
CG2 A:THR250 4.4 11.0 1.0
OD1 A:ASN226 4.4 11.7 1.0
C A:ILE247 4.5 10.7 1.0
OG1 A:THR251 4.6 9.8 1.0
CA A:THR251 4.7 12.4 1.0
O A:GLY249 4.8 12.5 1.0
N A:ASN226 4.8 10.7 1.0
O3A A:GDP650 4.8 7.9 1.0
CB A:THR251 4.8 11.9 1.0
O A:THR251 4.9 14.1 1.0
N A:ALA248 4.9 12.4 1.0
O A:ALA248 4.9 13.2 1.0

Fluorine binding site 3 out of 16 in 2gj8

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Fluorine binding site 3 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:12.5
occ:1.00
F3 A:ALF601 0.0 12.5 1.0
AL A:ALF601 1.8 13.0 1.0
MG A:MG602 1.9 11.7 1.0
F1 A:ALF601 2.6 10.5 1.0
F2 A:ALF601 2.6 12.0 1.0
O2B A:GDP650 2.7 9.0 1.0
O3B A:GDP650 2.8 7.0 1.0
OG1 A:THR251 2.8 9.8 1.0
O A:HOH652 2.8 11.4 1.0
O A:HOH655 2.8 11.0 1.0
CB A:THR251 3.1 11.9 1.0
O A:HOH654 3.1 10.5 1.0
PB A:GDP650 3.3 9.8 1.0
N A:THR251 3.3 11.7 1.0
F4 A:ALF601 3.6 13.2 1.0
CA A:THR251 3.7 12.4 1.0
OG A:SER230 3.9 10.3 1.0
O1B A:GDP650 4.1 10.1 1.0
O A:THR251 4.2 14.1 1.0
O A:THR271 4.4 12.5 1.0
K A:K603 4.4 10.8 1.0
C A:THR250 4.4 11.4 1.0
CG2 A:THR251 4.4 11.9 1.0
NZ A:LYS229 4.4 11.3 1.0
N A:GLY273 4.5 11.5 1.0
C A:THR251 4.5 13.9 1.0
N A:THR250 4.5 10.7 1.0
CB A:THR250 4.6 10.9 1.0
O3A A:GDP650 4.6 7.9 1.0
O2A A:GDP650 4.7 11.1 1.0
CA A:THR250 4.7 11.7 1.0
CE A:LYS229 4.8 11.7 1.0
CA A:ALA272 4.9 12.4 1.0
CB A:SER230 5.0 9.9 1.0

Fluorine binding site 4 out of 16 in 2gj8

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Fluorine binding site 4 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:13.2
occ:1.00
F4 A:ALF601 0.0 13.2 1.0
AL A:ALF601 1.8 13.0 1.0
F2 A:ALF601 2.4 12.0 1.0
F1 A:ALF601 2.5 10.5 1.0
O A:HOH652 2.7 11.4 1.0
O2B A:GDP650 2.7 9.0 1.0
N A:GLY249 2.9 10.5 1.0
N A:ASN226 3.0 10.7 1.0
CB A:PRO225 3.1 10.8 1.0
CA A:PRO225 3.1 10.3 1.0
C A:PRO225 3.5 10.3 1.0
F3 A:ALF601 3.6 12.5 1.0
CA A:ALA248 3.6 12.1 1.0
C A:ALA248 3.7 11.8 1.0
O A:HOH651 3.8 11.7 1.0
K A:K603 3.8 10.8 1.0
CA A:GLY249 3.9 10.9 1.0
OD1 A:ASN226 4.1 11.7 1.0
CA A:ASN226 4.1 10.6 1.0
PB A:GDP650 4.2 9.8 1.0
CB A:ALA248 4.2 13.6 1.0
CG A:PRO225 4.2 11.2 1.0
N A:THR250 4.2 10.7 1.0
O A:ILE247 4.3 10.8 1.0
CG A:ASN226 4.5 11.6 1.0
N A:PRO225 4.5 11.0 1.0
O1B A:GDP650 4.6 10.1 1.0
C A:GLY249 4.6 12.3 1.0
CA A:GLY273 4.6 13.6 1.0
N A:GLY273 4.6 11.5 1.0
NZ A:LYS229 4.7 11.3 1.0
O A:PRO225 4.7 10.4 1.0
N A:ALA248 4.7 12.4 1.0
CB A:ASN226 4.8 10.5 1.0
O A:ALA248 4.9 13.2 1.0
O3B A:GDP650 5.0 7.0 1.0
C A:ILE247 5.0 10.7 1.0

Fluorine binding site 5 out of 16 in 2gj8

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Fluorine binding site 5 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F611

b:17.0
occ:1.00
F1 B:ALF611 0.0 17.0 1.0
AL B:ALF611 1.7 15.1 1.0
MG B:MG612 1.8 17.1 1.0
F3 B:ALF611 2.5 15.2 1.0
F4 B:ALF611 2.6 16.2 1.0
O2B B:GDP651 2.7 14.7 1.0
O B:HOH654 2.7 13.6 1.0
O B:HOH653 2.8 9.9 1.0
O3B B:GDP651 2.8 13.7 1.0
OG1 B:THR251 2.9 12.9 1.0
CB B:THR251 3.1 13.7 1.0
O B:HOH655 3.1 11.8 1.0
PB B:GDP651 3.2 17.3 1.0
N B:THR251 3.3 13.5 1.0
F2 B:ALF611 3.5 14.9 1.0
CA B:THR251 3.7 13.1 1.0
OG B:SER230 3.9 18.9 1.0
O1B B:GDP651 4.1 17.5 1.0
O B:THR251 4.2 11.5 1.0
K B:K613 4.4 16.5 1.0
N B:GLY273 4.4 12.6 1.0
NZ B:LYS229 4.4 14.8 1.0
CG2 B:THR251 4.4 13.2 1.0
O B:THR271 4.4 13.3 1.0
C B:THR251 4.5 13.7 1.0
C B:THR250 4.5 14.4 1.0
N B:THR250 4.6 14.1 1.0
O3A B:GDP651 4.6 16.3 1.0
CB B:THR250 4.6 14.5 1.0
CE B:LYS229 4.8 12.1 1.0
CA B:THR250 4.8 14.7 1.0
O2A B:GDP651 4.8 18.3 1.0
CA B:ALA272 4.9 11.8 1.0
CB B:SER230 5.0 15.8 1.0

Fluorine binding site 6 out of 16 in 2gj8

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Fluorine binding site 6 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F611

b:14.9
occ:1.00
F2 B:ALF611 0.0 14.9 1.0
AL B:ALF611 1.8 15.1 1.0
F4 B:ALF611 2.5 16.2 1.0
F3 B:ALF611 2.6 15.2 1.0
O B:HOH653 2.6 9.9 1.0
O2B B:GDP651 2.7 14.7 1.0
N B:GLY249 2.9 13.3 1.0
N B:ASN226 3.1 14.6 1.0
CA B:PRO225 3.2 14.1 1.0
CB B:PRO225 3.2 14.4 1.0
CA B:ALA248 3.5 15.6 1.0
F1 B:ALF611 3.5 17.0 1.0
C B:PRO225 3.6 15.2 1.0
K B:K613 3.6 16.5 1.0
C B:ALA248 3.7 14.2 1.0
O B:HOH652 3.8 15.7 1.0
CA B:GLY249 3.9 13.9 1.0
OD1 B:ASN226 4.0 16.7 1.0
N B:THR250 4.1 14.1 1.0
PB B:GDP651 4.1 17.3 1.0
CA B:ASN226 4.2 16.0 1.0
O B:ILE247 4.2 17.5 1.0
CB B:ALA248 4.3 16.0 1.0
CG B:PRO225 4.3 15.1 1.0
CG B:ASN226 4.5 17.2 1.0
N B:PRO225 4.5 14.4 1.0
C B:GLY249 4.6 14.6 1.0
N B:ALA248 4.6 17.0 1.0
O1B B:GDP651 4.6 17.5 1.0
N B:GLY273 4.6 12.6 1.0
CA B:GLY273 4.7 12.9 1.0
NZ B:LYS229 4.7 14.8 1.0
O B:PRO225 4.8 14.5 1.0
CB B:ASN226 4.8 15.4 1.0
C B:ILE247 4.8 16.3 1.0
O B:ALA248 4.9 15.5 1.0
O3A B:GDP651 5.0 16.3 1.0
O3B B:GDP651 5.0 13.7 1.0

Fluorine binding site 7 out of 16 in 2gj8

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Fluorine binding site 7 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F611

b:15.2
occ:1.00
F3 B:ALF611 0.0 15.2 1.0
AL B:ALF611 1.8 15.1 1.0
F1 B:ALF611 2.5 17.0 1.0
F2 B:ALF611 2.6 14.9 1.0
O B:HOH653 2.6 9.9 1.0
NZ B:LYS229 2.6 14.8 1.0
O2B B:GDP651 2.7 14.7 1.0
N B:GLY273 2.8 12.6 1.0
CA B:GLY273 3.1 12.9 1.0
CE B:LYS229 3.4 12.1 1.0
PB B:GDP651 3.5 17.3 1.0
O1B B:GDP651 3.5 17.5 1.0
CA B:PRO225 3.6 14.1 1.0
F4 B:ALF611 3.6 16.2 1.0
O3B B:GDP651 3.9 13.7 1.0
N B:ASN226 3.9 14.6 1.0
O B:HOH654 3.9 13.6 1.0
O B:HOH652 3.9 15.7 1.0
C B:ALA272 3.9 11.5 1.0
MG B:MG612 4.0 17.1 1.0
C B:PRO225 4.2 15.2 1.0
O B:ARG224 4.3 13.7 1.0
O B:THR271 4.4 13.3 1.0
N B:PRO225 4.4 14.4 1.0
CB B:PRO225 4.4 14.4 1.0
C B:GLY273 4.5 12.6 1.0
CA B:ALA272 4.5 11.8 1.0
C B:ARG224 4.7 12.4 1.0
CD B:LYS229 4.9 14.2 1.0
O B:ALA272 4.9 11.5 1.0
O3A B:GDP651 4.9 16.3 1.0
O B:GLY273 5.0 12.3 1.0
N B:GLY249 5.0 13.3 1.0

Fluorine binding site 8 out of 16 in 2gj8

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Fluorine binding site 8 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F611

b:16.2
occ:1.00
F4 B:ALF611 0.0 16.2 1.0
AL B:ALF611 1.8 15.1 1.0
F2 B:ALF611 2.5 14.9 1.0
K B:K613 2.5 16.5 1.0
F1 B:ALF611 2.6 17.0 1.0
N B:THR250 2.7 14.1 1.0
O2B B:GDP651 2.7 14.7 1.0
O B:HOH653 2.8 9.9 1.0
CB B:THR250 2.9 14.5 1.0
CA B:THR250 3.2 14.7 1.0
O B:HOH655 3.3 11.8 1.0
N B:THR251 3.3 13.5 1.0
O B:ILE247 3.4 17.5 1.0
N B:GLY249 3.4 13.3 1.0
OG1 B:THR250 3.5 18.2 1.0
F3 B:ALF611 3.6 15.2 1.0
MG B:MG612 3.6 17.1 1.0
C B:GLY249 3.7 14.6 1.0
C B:THR250 3.8 14.4 1.0
PB B:GDP651 3.9 17.3 1.0
CA B:GLY249 4.0 13.9 1.0
O2A B:GDP651 4.2 18.3 1.0
C B:ALA248 4.2 14.2 1.0
CG2 B:THR250 4.2 14.0 1.0
O3B B:GDP651 4.2 13.7 1.0
OD1 B:ASN226 4.4 16.7 1.0
CA B:ALA248 4.4 15.6 1.0
OG1 B:THR251 4.5 12.9 1.0
C B:ILE247 4.5 16.3 1.0
CA B:THR251 4.6 13.1 1.0
O3A B:GDP651 4.6 16.3 1.0
CB B:THR251 4.7 13.7 1.0
N B:ASN226 4.8 14.6 1.0
O B:GLY249 4.8 14.8 1.0
O B:THR251 4.9 11.5 1.0
N B:ALA248 4.9 17.0 1.0

Fluorine binding site 9 out of 16 in 2gj8

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Fluorine binding site 9 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F621

b:11.7
occ:1.00
F1 C:ALF621 0.0 11.7 1.0
AL C:ALF621 1.8 11.4 1.0
MG C:MG622 1.9 9.9 1.0
F4 C:ALF621 2.5 12.7 1.0
F3 C:ALF621 2.5 10.6 1.0
O3B C:GDP652 2.6 15.8 1.0
O C:HOH656 2.6 10.3 1.0
OG1 C:THR251 2.8 9.7 1.0
O1B C:GDP652 2.8 9.2 1.0
O C:HOH653 2.8 11.7 1.0
O C:HOH654 3.0 10.6 1.0
CB C:THR251 3.1 11.4 1.0
PB C:GDP652 3.1 11.0 1.0
N C:THR251 3.3 11.3 1.0
F2 C:ALF621 3.6 11.0 1.0
CA C:THR251 3.8 11.1 1.0
OG C:SER230 4.0 8.4 1.0
O2B C:GDP652 4.1 11.3 1.0
O C:THR251 4.2 12.0 1.0
K C:K623 4.3 11.8 1.0
NZ C:LYS229 4.4 7.8 1.0
O C:THR271 4.4 11.8 1.0
N C:GLY273 4.5 11.4 1.0
C C:THR250 4.5 12.2 1.0
CG2 C:THR251 4.5 12.3 1.0
O3A C:GDP652 4.5 10.4 1.0
C C:THR251 4.5 11.8 1.0
N C:THR250 4.5 12.9 1.0
CB C:THR250 4.6 12.0 1.0
O2A C:GDP652 4.7 11.6 1.0
CA C:THR250 4.7 11.9 1.0
CE C:LYS229 4.8 11.7 1.0
CA C:ALA272 4.9 11.2 1.0

Fluorine binding site 10 out of 16 in 2gj8

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Fluorine binding site 10 out of 16 in the Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of the Mnme G-Domain in Complex with Gdp*ALF4-, MG2+ and K+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F621

b:11.0
occ:1.00
F2 C:ALF621 0.0 11.0 1.0
AL C:ALF621 1.8 11.4 1.0
F4 C:ALF621 2.5 12.7 1.0
F3 C:ALF621 2.6 10.6 1.0
O3B C:GDP652 2.7 15.8 1.0
O C:HOH656 2.8 10.3 1.0
N C:GLY249 2.9 11.8 1.0
CB C:PRO225 3.0 12.5 1.0
N C:ASN226 3.1 11.7 1.0
CA C:PRO225 3.1 13.1 1.0
CA C:ALA248 3.4 13.0 1.0
C C:PRO225 3.5 12.5 1.0
F1 C:ALF621 3.6 11.7 1.0
C C:ALA248 3.6 12.7 1.0
K C:K623 3.7 11.8 1.0
O C:HOH657 3.8 13.0 1.0
CA C:GLY249 3.9 12.3 1.0
OD1 C:ASN226 4.1 13.1 1.0
CG C:PRO225 4.1 14.4 1.0
CB C:ALA248 4.2 13.2 1.0
PB C:GDP652 4.2 11.0 1.0
CA C:ASN226 4.2 11.6 1.0
O C:ILE247 4.2 13.5 1.0
N C:THR250 4.3 12.9 1.0
CG C:ASN226 4.4 14.7 1.0
N C:PRO225 4.5 12.7 1.0
N C:ALA248 4.5 13.1 1.0
C C:GLY249 4.7 12.4 1.0
CA C:GLY273 4.7 13.2 1.0
N C:GLY273 4.7 11.4 1.0
O C:PRO225 4.7 13.0 1.0
O2B C:GDP652 4.7 11.3 1.0
C C:ILE247 4.8 13.4 1.0
CB C:ASN226 4.8 11.3 1.0
NZ C:LYS229 4.8 7.8 1.0
O C:ALA248 4.9 13.7 1.0

Reference:

A.Scrima, A.Wittinghofer. Dimerisation-Dependent Gtpase Reaction of Mnme: How Potassium Acts As Gtpase-Activating Element. Embo J. V. 25 2940 2006.
ISSN: ISSN 0261-4189
PubMed: 16763562
DOI: 10.1038/SJ.EMBOJ.7601171
Page generated: Wed Jul 31 14:36:19 2024

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