Fluorine in PDB 7qz2: Crystal Structure of Gacs D1 Domain in Complex with BEF3-

Enzymatic activity of Crystal Structure of Gacs D1 Domain in Complex with BEF3-

All present enzymatic activity of Crystal Structure of Gacs D1 Domain in Complex with BEF3-:
2.7.13.3;

Protein crystallography data

The structure of Crystal Structure of Gacs D1 Domain in Complex with BEF3-, PDB code: 7qz2 was solved by F.Fadel, V.Bassim, T.Botzanowski, V.I.Francis, P.Legrand, S.L.Porter, Y.Bourne, S.Cianferani, F.Vincent, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.62 / 1.87
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 69.695, 74.016, 93.342, 90, 90, 90
R / Rfree (%) 16.8 / 21.3

Other elements in 7qz2:

The structure of Crystal Structure of Gacs D1 Domain in Complex with BEF3- also contains other interesting chemical elements:

Cadmium (Cd) 3 atoms
Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Gacs D1 Domain in Complex with BEF3- (pdb code 7qz2). 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 Gacs D1 Domain in Complex with BEF3-, PDB code: 7qz2:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7qz2

Go back to Fluorine Binding Sites List in 7qz2
Fluorine binding site 1 out of 6 in the Crystal Structure of Gacs D1 Domain in Complex with BEF3-


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 Gacs D1 Domain in Complex with BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F804

b:23.4
occ:1.00
F1 A:BEF804 0.0 23.4 1.0
BE A:BEF804 1.8 16.1 1.0
MG A:MG805 1.8 15.0 1.0
O A:HOH920 2.6 19.9 1.0
O A:GLN717 2.6 16.1 1.0
O A:HOH954 2.6 19.7 1.0
OD2 A:ASP715 2.7 16.5 1.0
OD1 A:ASP715 2.7 19.0 1.0
F3 A:BEF804 3.0 22.4 1.0
F2 A:BEF804 3.1 22.0 1.0
CG A:ASP715 3.1 14.8 1.0
CB A:GLN717 3.3 21.5 1.0
C A:GLN717 3.5 15.2 1.0
N A:GLN717 3.6 20.4 1.0
CA A:GLN717 3.6 19.6 1.0
OD1 A:ASP672 3.8 16.7 1.0
O A:HOH974 4.1 37.0 1.0
NZ A:LYS770 4.2 29.3 1.0
CG A:GLN717 4.3 39.6 1.0
CB A:ASP715 4.6 12.7 1.0
N A:VAL716 4.7 12.8 1.0
C A:VAL716 4.7 18.1 1.0
N A:MET718 4.8 16.4 1.0
CG A:ASP672 4.8 22.1 1.0
OD1 A:ASP671 4.9 19.6 1.0

Fluorine binding site 2 out of 6 in 7qz2

Go back to Fluorine Binding Sites List in 7qz2
Fluorine binding site 2 out of 6 in the Crystal Structure of Gacs D1 Domain in Complex with BEF3-


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 Gacs D1 Domain in Complex with BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F804

b:22.0
occ:1.00
F2 A:BEF804 0.0 22.0 1.0
BE A:BEF804 1.8 16.1 1.0
OG1 A:THR748 2.6 25.7 1.0
N A:GLN717 2.7 20.4 1.0
OD1 A:ASP715 2.7 19.0 1.0
N A:VAL716 2.9 12.8 1.0
F3 A:BEF804 3.0 22.4 1.0
F1 A:BEF804 3.1 23.4 1.0
CB A:VAL716 3.2 22.5 1.0
CB A:THR748 3.3 36.4 1.0
CA A:VAL716 3.3 19.8 1.0
C A:VAL716 3.4 18.1 1.0
CG A:ASP715 3.7 14.8 1.0
CB A:GLN717 3.7 21.5 1.0
CA A:THR748 3.7 29.8 1.0
CG A:GLN717 3.7 39.6 1.0
CA A:GLN717 3.7 19.6 1.0
C A:ASP715 4.0 17.2 1.0
CG2 A:VAL716 4.1 25.8 1.0
ND1 A:HIS750 4.2 39.4 0.5
OD2 A:ASP715 4.2 16.5 1.0
CG1 A:VAL716 4.2 32.3 1.0
N A:ALA749 4.3 27.1 1.0
CA A:ASP715 4.4 15.8 1.0
O A:GLN717 4.5 16.1 1.0
C A:THR748 4.6 21.5 1.0
C A:GLN717 4.6 15.2 1.0
MG A:MG805 4.6 15.0 1.0
O A:LEU747 4.6 24.4 1.0
CG2 A:THR748 4.6 28.1 1.0
O A:VAL716 4.6 17.6 1.0
CB A:ASP715 4.7 12.7 1.0
N A:THR748 4.9 24.3 1.0
N A:HIS750 4.9 58.5 1.0

Fluorine binding site 3 out of 6 in 7qz2

Go back to Fluorine Binding Sites List in 7qz2
Fluorine binding site 3 out of 6 in the Crystal Structure of Gacs D1 Domain in Complex with BEF3-


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 Gacs D1 Domain in Complex with BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F804

b:22.4
occ:1.00
F3 A:BEF804 0.0 22.4 1.0
BE A:BEF804 1.8 16.1 1.0
NZ A:LYS770 2.5 29.3 1.0
OD1 A:ASP715 2.7 19.0 1.0
F1 A:BEF804 3.0 23.4 1.0
F2 A:BEF804 3.0 22.0 1.0
CE A:LYS770 3.1 22.2 1.0
CD A:LYS770 3.2 20.0 1.0
N A:ALA749 3.2 27.1 1.0
CA A:THR748 3.4 29.8 1.0
O A:HOH920 3.7 19.9 1.0
C A:THR748 3.7 21.5 1.0
CG A:ASP715 3.8 14.8 1.0
OG1 A:THR748 3.9 25.7 1.0
CB A:ALA749 4.1 34.5 1.0
O A:LEU747 4.1 24.4 1.0
CB A:THR748 4.2 36.4 1.0
OD2 A:ASP715 4.3 16.5 1.0
CA A:ALA749 4.3 30.6 1.0
CG A:LYS770 4.4 25.5 1.0
MG A:MG805 4.4 15.0 1.0
O A:HOH974 4.4 37.0 1.0
N A:THR748 4.5 24.3 1.0
OD2 A:ASP671 4.7 22.6 1.0
C A:LEU747 4.7 24.6 1.0
OD1 A:ASN676 4.8 24.7 1.0
O A:THR748 4.9 21.9 1.0
CB A:ASP715 4.9 12.7 1.0

Fluorine binding site 4 out of 6 in 7qz2

Go back to Fluorine Binding Sites List in 7qz2
Fluorine binding site 4 out of 6 in the Crystal Structure of Gacs D1 Domain in Complex with BEF3-


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 Gacs D1 Domain in Complex with BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:26.4
occ:1.00
F1 B:BEF801 0.0 26.4 1.0
BE B:BEF801 1.8 18.4 1.0
NZ B:LYS770 2.5 22.5 1.0
O B:HOH1002 2.6 44.6 1.0
OD1 B:ASP715 2.9 19.1 1.0
F3 B:BEF801 3.0 21.9 1.0
F2 B:BEF801 3.0 23.4 1.0
N B:ALA749 3.1 26.8 1.0
CE B:LYS770 3.2 30.9 1.0
CD B:LYS770 3.3 36.9 1.0
CA B:THR748 3.5 25.1 1.0
C B:THR748 3.8 34.2 1.0
O B:HOH934 3.8 17.4 1.0
CB B:ALA749 3.9 36.5 1.0
CG B:ASP715 3.9 15.8 1.0
OG1 B:THR748 3.9 34.0 1.0
CA B:ALA749 4.1 31.1 1.0
O B:LEU747 4.2 32.1 1.0
O B:HOH942 4.3 34.5 1.0
CB B:THR748 4.3 39.0 1.0
CD2 B:HIS750 4.3 26.2 1.0
MG B:MG802 4.4 16.7 1.0
OD2 B:ASP715 4.4 18.1 1.0
CG B:LYS770 4.5 24.4 1.0
N B:THR748 4.6 20.9 1.0
NE2 B:HIS750 4.6 28.1 1.0
O B:HOH980 4.6 39.2 1.0
OD1 B:ASN676 4.6 24.9 1.0
C B:LEU747 4.8 26.1 1.0
OD2 B:ASP671 4.9 21.4 1.0
O B:THR748 4.9 25.6 1.0

Fluorine binding site 5 out of 6 in 7qz2

Go back to Fluorine Binding Sites List in 7qz2
Fluorine binding site 5 out of 6 in the Crystal Structure of Gacs D1 Domain in Complex with BEF3-


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 Gacs D1 Domain in Complex with BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:23.4
occ:1.00
F2 B:BEF801 0.0 23.4 1.0
MG B:MG802 1.7 16.7 1.0
BE B:BEF801 1.8 18.4 1.0
O B:HOH960 2.5 20.7 1.0
O B:GLN717 2.6 16.8 1.0
O B:HOH934 2.7 17.4 1.0
OD2 B:ASP715 2.8 18.1 1.0
OD1 B:ASP715 2.8 19.1 1.0
F1 B:BEF801 3.0 26.4 1.0
F3 B:BEF801 3.0 21.9 1.0
CG B:ASP715 3.1 15.8 1.0
O B:HOH980 3.3 39.2 1.0
CB B:GLN717 3.3 25.6 1.0
O B:HOH1002 3.4 44.6 1.0
C B:GLN717 3.5 12.6 1.0
N B:GLN717 3.6 16.0 1.0
CA B:GLN717 3.6 18.6 1.0
OD1 B:ASP672 3.8 20.4 1.0
NZ B:LYS770 4.3 22.5 1.0
O B:HOH942 4.3 34.5 1.0
CG B:GLN717 4.5 36.4 1.0
NE2 B:HIS750 4.6 28.1 1.0
CB B:ASP715 4.6 18.0 1.0
CD2 B:HIS750 4.7 26.2 1.0
C B:VAL716 4.7 14.5 1.0
CG B:ASP672 4.8 24.4 1.0
N B:VAL716 4.8 12.0 1.0
N B:MET718 4.8 16.7 1.0
OD1 B:ASP671 5.0 21.8 1.0
OD2 B:ASP672 5.0 23.8 1.0
O B:HOH924 5.0 30.5 1.0

Fluorine binding site 6 out of 6 in 7qz2

Go back to Fluorine Binding Sites List in 7qz2
Fluorine binding site 6 out of 6 in the Crystal Structure of Gacs D1 Domain in Complex with BEF3-


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 Gacs D1 Domain in Complex with BEF3- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:21.9
occ:1.00
F3 B:BEF801 0.0 21.9 1.0
BE B:BEF801 1.7 18.4 1.0
OG1 B:THR748 2.6 34.0 1.0
OD1 B:ASP715 2.7 19.1 1.0
N B:GLN717 2.8 16.0 1.0
N B:VAL716 3.0 12.0 1.0
F1 B:BEF801 3.0 26.4 1.0
F2 B:BEF801 3.0 23.4 1.0
CB B:VAL716 3.2 19.8 1.0
CB B:THR748 3.3 39.0 1.0
CA B:VAL716 3.3 13.6 1.0
C B:VAL716 3.5 14.5 1.0
CD2 B:HIS750 3.6 26.2 1.0
CG B:ASP715 3.6 15.8 1.0
CA B:THR748 3.7 25.1 1.0
CB B:GLN717 3.8 25.6 1.0
CA B:GLN717 3.8 18.6 1.0
CG B:GLN717 4.1 36.4 1.0
C B:ASP715 4.1 13.7 1.0
CG2 B:VAL716 4.1 22.6 1.0
OD2 B:ASP715 4.2 18.1 1.0
N B:ALA749 4.2 26.8 1.0
CG1 B:VAL716 4.3 24.8 1.0
NE2 B:HIS750 4.4 28.1 1.0
MG B:MG802 4.5 16.7 1.0
O B:GLN717 4.5 16.8 1.0
CA B:ASP715 4.5 16.5 1.0
C B:THR748 4.5 34.2 1.0
C B:GLN717 4.6 12.6 1.0
O B:LEU747 4.6 32.1 1.0
CG B:HIS750 4.6 31.9 1.0
CG2 B:THR748 4.7 33.2 1.0
CB B:ASP715 4.7 18.0 1.0
O B:HOH1002 4.7 44.6 1.0
O B:VAL716 4.7 20.3 1.0
N B:THR748 4.8 20.9 1.0
N B:HIS750 4.8 34.0 1.0

Reference:

F.Fadel, V.Bassim, T.Botzanowski, V.I.Francis, P.Legrand, S.L.Porter, Y.Bourne, S.Cianferani, F.Vincent. Crystal Structure of Gacs D1 Domain in Complex with BEF3- To Be Published.
Page generated: Wed Apr 5 00:51:27 2023

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