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:
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: Fri Aug 2 11:51:06 2024
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