Fluorine in PDB 4wx2: Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
Enzymatic activity of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
All present enzymatic activity of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site:
4.2.1.20;
Protein crystallography data
The structure of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site, PDB code: 4wx2
was solved by
E.Hilario,
B.G.Caulkins,
R.P.Young,
D.Niks,
M.F.Dunn,
L.J.Mueller,
L.Fan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.95 /
1.75
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
183.809,
58.890,
67.270,
90.00,
95.21,
90.00
|
R / Rfree (%)
|
15.8 /
18.9
|
Other elements in 4wx2:
The structure of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
(pdb code 4wx2). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the
Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site, PDB code: 4wx2:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Fluorine binding site 1 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 1 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
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 Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:31.5
occ:0.85
|
F9
|
A:F6F301
|
0.0
|
31.5
|
0.8
|
C8
|
A:F6F301
|
1.3
|
35.4
|
0.8
|
O7
|
A:F6F301
|
2.2
|
30.1
|
0.8
|
F11
|
A:F6F301
|
2.2
|
36.6
|
0.8
|
F10
|
A:F6F301
|
2.2
|
34.7
|
0.8
|
CB
|
A:ALA59
|
3.1
|
34.7
|
1.0
|
O
|
A:ALA129
|
3.2
|
19.3
|
1.0
|
CB
|
B:PRO18
|
3.4
|
20.9
|
1.0
|
C1
|
A:F6F301
|
3.5
|
28.3
|
0.8
|
CB
|
A:ALA129
|
3.6
|
18.4
|
1.0
|
O
|
A:HOH437
|
3.7
|
18.0
|
1.0
|
CG
|
B:PRO18
|
3.8
|
21.7
|
1.0
|
O
|
B:HOH626
|
3.8
|
29.0
|
0.5
|
C
|
A:ALA129
|
3.8
|
17.9
|
1.0
|
O
|
B:HOH626
|
3.9
|
10.8
|
0.5
|
CA
|
A:ALA129
|
3.9
|
17.9
|
1.0
|
C6
|
A:F6F302
|
4.1
|
43.5
|
0.8
|
C5
|
A:F6F302
|
4.2
|
46.8
|
0.8
|
C6
|
A:F6F301
|
4.2
|
26.3
|
0.8
|
CA
|
B:PRO18
|
4.4
|
19.7
|
1.0
|
C2
|
A:F6F301
|
4.5
|
26.4
|
0.8
|
CA
|
A:ALA59
|
4.6
|
34.5
|
1.0
|
O
|
A:ALA59
|
4.9
|
36.1
|
1.0
|
N
|
A:ASP130
|
5.0
|
17.2
|
1.0
|
|
Fluorine binding site 2 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 2 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
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 Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:34.7
occ:0.85
|
F10
|
A:F6F301
|
0.0
|
34.7
|
0.8
|
C8
|
A:F6F301
|
1.4
|
35.4
|
0.8
|
F11
|
A:F6F301
|
2.2
|
36.6
|
0.8
|
F9
|
A:F6F301
|
2.2
|
31.5
|
0.8
|
O7
|
A:F6F301
|
2.3
|
30.1
|
0.8
|
C6
|
A:F6F301
|
3.0
|
26.3
|
0.8
|
C1
|
A:F6F301
|
3.0
|
28.3
|
0.8
|
CA
|
A:ALA129
|
3.4
|
17.9
|
1.0
|
CG1
|
A:ILE153
|
3.5
|
25.3
|
1.0
|
O
|
A:HOH437
|
3.5
|
18.0
|
1.0
|
CB
|
A:ALA129
|
3.6
|
18.4
|
1.0
|
O
|
A:ALA129
|
3.7
|
19.3
|
1.0
|
CD2
|
A:LEU127
|
3.7
|
21.2
|
1.0
|
CD1
|
A:ILE153
|
4.0
|
26.9
|
0.8
|
C
|
A:ALA129
|
4.0
|
17.9
|
1.0
|
C5
|
A:F6F301
|
4.3
|
26.2
|
0.8
|
C2
|
A:F6F301
|
4.4
|
26.4
|
0.8
|
CD2
|
A:LEU100
|
4.5
|
24.4
|
1.0
|
O
|
B:HOH626
|
4.5
|
10.8
|
0.5
|
CD1
|
A:LEU127
|
4.5
|
22.2
|
1.0
|
O
|
B:HOH626
|
4.6
|
29.0
|
0.5
|
N
|
A:ALA129
|
4.6
|
17.5
|
1.0
|
CG
|
A:LEU127
|
4.7
|
21.5
|
1.0
|
O
|
A:HOH440
|
4.8
|
20.1
|
1.0
|
CB
|
A:ILE153
|
4.8
|
23.6
|
1.0
|
CB
|
A:ALA59
|
4.9
|
34.7
|
1.0
|
|
Fluorine binding site 3 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 3 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
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 Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:36.6
occ:0.85
|
F11
|
A:F6F301
|
0.0
|
36.6
|
0.8
|
C8
|
A:F6F301
|
1.3
|
35.4
|
0.8
|
F10
|
A:F6F301
|
2.2
|
34.7
|
0.8
|
F9
|
A:F6F301
|
2.2
|
31.5
|
0.8
|
O7
|
A:F6F301
|
2.2
|
30.1
|
0.8
|
O
|
B:HOH626
|
2.7
|
29.0
|
0.5
|
C1
|
A:F6F301
|
2.8
|
28.3
|
0.8
|
C6
|
A:F6F301
|
3.1
|
26.3
|
0.8
|
CZ
|
A:PHE212
|
3.6
|
33.3
|
0.7
|
O
|
B:HOH626
|
3.7
|
10.8
|
0.5
|
CG1
|
A:ILE153
|
3.8
|
25.3
|
1.0
|
C2
|
A:F6F301
|
3.8
|
26.4
|
0.8
|
C5
|
A:F6F302
|
3.9
|
46.8
|
0.8
|
CD1
|
A:ILE153
|
3.9
|
26.9
|
0.8
|
C5
|
A:F6F301
|
4.2
|
26.2
|
0.8
|
C6
|
A:F6F302
|
4.3
|
43.5
|
0.8
|
CE1
|
A:PHE212
|
4.3
|
31.1
|
0.7
|
O
|
A:HOH437
|
4.3
|
18.0
|
1.0
|
O14
|
A:F6F302
|
4.4
|
54.6
|
0.8
|
CB
|
A:ALA59
|
4.5
|
34.7
|
1.0
|
CE2
|
A:PHE212
|
4.5
|
34.0
|
0.7
|
C3
|
A:F6F301
|
4.8
|
28.1
|
0.8
|
CB
|
A:ILE153
|
4.9
|
23.6
|
1.0
|
CG2
|
A:ILE153
|
4.9
|
26.5
|
1.0
|
C4
|
A:F6F301
|
5.0
|
26.1
|
0.8
|
O
|
A:ALA59
|
5.0
|
36.1
|
1.0
|
|
Fluorine binding site 4 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 4 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
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 Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F302
b:44.5
occ:0.80
|
F9
|
A:F6F302
|
0.0
|
44.5
|
0.8
|
C8
|
A:F6F302
|
1.3
|
48.1
|
0.8
|
F11
|
A:F6F302
|
2.1
|
48.0
|
0.8
|
F10
|
A:F6F302
|
2.2
|
51.2
|
0.8
|
O7
|
A:F6F302
|
2.3
|
48.0
|
0.8
|
C1
|
A:F6F302
|
2.8
|
46.6
|
0.8
|
CG
|
A:LEU58
|
3.0
|
42.6
|
1.0
|
CD1
|
A:LEU58
|
3.4
|
46.4
|
1.0
|
CA
|
A:ALA59
|
3.4
|
34.5
|
1.0
|
C6
|
A:F6F302
|
3.4
|
43.5
|
0.8
|
CD2
|
A:LEU58
|
3.5
|
42.3
|
1.0
|
O
|
A:LEU58
|
3.5
|
32.9
|
1.0
|
CG
|
B:PRO18
|
3.5
|
21.7
|
1.0
|
C2
|
A:F6F302
|
3.5
|
47.1
|
0.8
|
C
|
A:LEU58
|
3.7
|
35.5
|
1.0
|
N
|
A:ALA59
|
3.7
|
32.9
|
1.0
|
CB
|
A:ALA59
|
3.8
|
34.7
|
1.0
|
CD
|
B:PRO18
|
4.2
|
20.2
|
1.0
|
CB
|
A:LEU58
|
4.2
|
37.4
|
1.0
|
CB
|
B:PRO18
|
4.3
|
20.9
|
1.0
|
C5
|
A:F6F302
|
4.5
|
46.8
|
0.8
|
C3
|
A:F6F302
|
4.6
|
51.0
|
0.8
|
CA
|
A:LEU58
|
4.6
|
36.0
|
1.0
|
C
|
A:ALA59
|
4.7
|
35.5
|
1.0
|
CG
|
B:ARG175
|
4.7
|
35.3
|
1.0
|
O
|
A:HOH602
|
4.8
|
46.2
|
0.7
|
CD1
|
B:LEU21
|
4.9
|
26.8
|
1.0
|
C4
|
A:F6F302
|
5.0
|
50.8
|
0.8
|
|
Fluorine binding site 5 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 5 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
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 Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F302
b:51.2
occ:0.80
|
F10
|
A:F6F302
|
0.0
|
51.2
|
0.8
|
C8
|
A:F6F302
|
1.3
|
48.1
|
0.8
|
F11
|
A:F6F302
|
2.1
|
48.0
|
0.8
|
F9
|
A:F6F302
|
2.2
|
44.5
|
0.8
|
O7
|
A:F6F302
|
2.2
|
48.0
|
0.8
|
CD1
|
B:LEU21
|
2.8
|
26.8
|
1.0
|
CG
|
B:LEU21
|
3.4
|
24.5
|
1.0
|
C1
|
A:F6F302
|
3.4
|
46.6
|
0.8
|
CG
|
B:PRO18
|
3.7
|
21.7
|
1.0
|
CD
|
B:PRO18
|
3.8
|
20.2
|
1.0
|
CD2
|
A:LEU58
|
4.0
|
42.3
|
1.0
|
CB
|
B:PRO18
|
4.1
|
20.9
|
1.0
|
CB
|
B:SER178
|
4.1
|
27.8
|
1.0
|
CG
|
A:LEU58
|
4.2
|
42.6
|
1.0
|
C6
|
A:F6F302
|
4.3
|
43.5
|
0.8
|
C2
|
A:F6F302
|
4.3
|
47.1
|
0.8
|
CB
|
B:LEU21
|
4.3
|
22.6
|
1.0
|
O
|
B:LEU174
|
4.3
|
27.4
|
1.0
|
CD1
|
A:LEU58
|
4.4
|
46.4
|
1.0
|
CD2
|
B:LEU21
|
4.5
|
24.6
|
1.0
|
OG
|
B:SER178
|
4.6
|
28.9
|
1.0
|
C
|
B:LEU174
|
4.7
|
26.2
|
1.0
|
N
|
B:PRO18
|
4.8
|
19.3
|
1.0
|
CB
|
B:LEU174
|
4.8
|
26.4
|
1.0
|
CG1
|
B:ILE20
|
4.8
|
25.1
|
1.0
|
CD1
|
B:ILE20
|
4.9
|
27.4
|
0.7
|
|
Fluorine binding site 6 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 6 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
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 Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F302
b:48.0
occ:0.80
|
F11
|
A:F6F302
|
0.0
|
48.0
|
0.8
|
C8
|
A:F6F302
|
1.3
|
48.1
|
0.8
|
F9
|
A:F6F302
|
2.1
|
44.5
|
0.8
|
F10
|
A:F6F302
|
2.1
|
51.2
|
0.8
|
O7
|
A:F6F302
|
2.2
|
48.0
|
0.8
|
C1
|
A:F6F302
|
2.9
|
46.6
|
0.8
|
C2
|
A:F6F302
|
3.0
|
47.1
|
0.8
|
CA
|
B:ARG175
|
3.3
|
29.9
|
1.0
|
N
|
B:ARG175
|
3.6
|
28.6
|
1.0
|
O
|
B:LEU174
|
3.6
|
27.4
|
1.0
|
CG
|
B:ARG175
|
3.7
|
35.3
|
1.0
|
OG
|
B:SER178
|
3.7
|
28.9
|
1.0
|
C
|
B:LEU174
|
3.8
|
26.2
|
1.0
|
CD1
|
A:LEU58
|
3.8
|
46.4
|
1.0
|
CB
|
B:SER178
|
3.9
|
27.8
|
1.0
|
CB
|
B:ARG175
|
4.0
|
33.0
|
1.0
|
C6
|
A:F6F302
|
4.1
|
43.5
|
0.8
|
CG
|
A:LEU58
|
4.2
|
42.6
|
1.0
|
O
|
A:LEU58
|
4.3
|
32.9
|
1.0
|
C3
|
A:F6F302
|
4.3
|
51.0
|
0.8
|
C
|
B:ARG175
|
4.3
|
30.0
|
1.0
|
CD1
|
B:LEU21
|
4.4
|
26.8
|
1.0
|
O
|
B:ARG175
|
4.5
|
26.4
|
1.0
|
CD2
|
A:LEU58
|
4.6
|
42.3
|
1.0
|
CB
|
B:LEU174
|
4.6
|
26.4
|
1.0
|
O
|
A:HOH602
|
4.8
|
46.2
|
0.7
|
CG
|
B:LEU21
|
4.9
|
24.5
|
1.0
|
CA
|
B:LEU174
|
4.9
|
26.4
|
1.0
|
C
|
A:LEU58
|
5.0
|
35.5
|
1.0
|
|
Fluorine binding site 7 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 7 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F404
b:26.2
occ:0.95
|
F9
|
B:F6F404
|
0.0
|
26.2
|
0.9
|
C8
|
B:F6F404
|
1.3
|
26.8
|
0.9
|
F10
|
B:F6F404
|
2.1
|
27.9
|
0.9
|
O7
|
B:F6F404
|
2.2
|
25.1
|
0.9
|
F11
|
B:F6F404
|
2.2
|
25.6
|
0.9
|
O
|
B:PHE280
|
2.9
|
18.7
|
1.0
|
C
|
B:PHE280
|
3.2
|
18.1
|
1.0
|
CA
|
B:PHE280
|
3.4
|
19.8
|
1.0
|
C1
|
B:F6F404
|
3.5
|
25.1
|
0.9
|
CD
|
B:PRO194
|
3.6
|
15.6
|
1.0
|
CD1
|
B:LEU174
|
3.7
|
29.7
|
1.0
|
CB
|
B:PHE280
|
3.8
|
20.9
|
1.0
|
N
|
B:GLY281
|
4.0
|
16.4
|
1.0
|
CA
|
B:GLY193
|
4.0
|
14.4
|
1.0
|
O
|
B:HOH894
|
4.1
|
32.6
|
0.5
|
C2
|
B:F6F404
|
4.2
|
23.7
|
0.9
|
C6
|
B:F6F404
|
4.4
|
24.5
|
0.9
|
O
|
B:HOH879
|
4.6
|
46.1
|
1.0
|
N
|
B:PRO194
|
4.6
|
15.6
|
1.0
|
CA
|
B:GLY281
|
4.6
|
15.7
|
1.0
|
CG
|
B:LEU174
|
4.6
|
27.5
|
1.0
|
CD1
|
B:PHE280
|
4.7
|
23.5
|
1.0
|
CD1
|
B:LEU188
|
4.7
|
20.7
|
1.0
|
CG
|
B:PRO194
|
4.7
|
15.3
|
1.0
|
CD2
|
B:LEU174
|
4.8
|
28.4
|
1.0
|
N
|
B:PHE280
|
4.8
|
18.6
|
1.0
|
CG
|
B:PHE280
|
4.8
|
22.1
|
1.0
|
C
|
B:GLY193
|
4.9
|
15.2
|
1.0
|
|
Fluorine binding site 8 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 8 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F404
b:27.9
occ:0.95
|
F10
|
B:F6F404
|
0.0
|
27.9
|
0.9
|
C8
|
B:F6F404
|
1.3
|
26.8
|
0.9
|
F11
|
B:F6F404
|
2.1
|
25.6
|
0.9
|
F9
|
B:F6F404
|
2.1
|
26.2
|
0.9
|
O7
|
B:F6F404
|
2.2
|
25.1
|
0.9
|
C1
|
B:F6F404
|
2.8
|
25.1
|
0.9
|
C2
|
B:F6F404
|
3.1
|
23.7
|
0.9
|
O
|
B:HOH894
|
3.3
|
32.6
|
0.5
|
CB
|
B:CYS170
|
3.5
|
31.2
|
1.0
|
CD1
|
B:PHE280
|
3.6
|
23.5
|
1.0
|
C6
|
B:F6F404
|
3.9
|
24.5
|
0.9
|
SG
|
B:CYS170
|
3.9
|
32.7
|
1.0
|
CD1
|
B:LEU174
|
4.0
|
29.7
|
1.0
|
CA
|
B:PHE280
|
4.0
|
19.8
|
1.0
|
CB
|
B:PHE280
|
4.0
|
20.9
|
1.0
|
CG
|
B:PHE280
|
4.3
|
22.1
|
1.0
|
C3
|
B:F6F404
|
4.4
|
25.7
|
0.9
|
O
|
B:PHE280
|
4.4
|
18.7
|
1.0
|
C
|
B:PHE280
|
4.5
|
18.1
|
1.0
|
CA
|
B:CYS170
|
4.5
|
29.6
|
1.0
|
CE1
|
B:PHE280
|
4.6
|
24.2
|
1.0
|
OH
|
B:TYR186
|
4.7
|
22.2
|
1.0
|
CG
|
B:LEU174
|
4.7
|
27.5
|
1.0
|
C
|
B:CYS170
|
4.7
|
29.7
|
1.0
|
O
|
B:CYS170
|
4.8
|
28.1
|
1.0
|
O
|
B:HOH879
|
4.9
|
46.1
|
1.0
|
C5
|
B:F6F404
|
4.9
|
26.4
|
0.9
|
|
Fluorine binding site 9 out
of 9 in 4wx2
Go back to
Fluorine Binding Sites List in 4wx2
Fluorine binding site 9 out
of 9 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with Two F6F Molecules in the Alpha-Site and One F6F Molecule in the Beta-Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F404
b:25.6
occ:0.95
|
F11
|
B:F6F404
|
0.0
|
25.6
|
0.9
|
C8
|
B:F6F404
|
1.3
|
26.8
|
0.9
|
F10
|
B:F6F404
|
2.1
|
27.9
|
0.9
|
F9
|
B:F6F404
|
2.2
|
26.2
|
0.9
|
O7
|
B:F6F404
|
2.2
|
25.1
|
0.9
|
C1
|
B:F6F404
|
2.9
|
25.1
|
0.9
|
C2
|
B:F6F404
|
2.9
|
23.7
|
0.9
|
OH
|
B:TYR186
|
3.3
|
22.2
|
1.0
|
CE2
|
B:TYR186
|
3.5
|
20.1
|
1.0
|
CD1
|
B:LEU188
|
3.7
|
20.7
|
1.0
|
CD1
|
B:LEU174
|
3.8
|
29.7
|
1.0
|
CZ
|
B:TYR186
|
3.9
|
19.9
|
1.0
|
CG
|
B:LEU174
|
4.0
|
27.5
|
1.0
|
CG
|
B:LEU188
|
4.0
|
19.2
|
1.0
|
CD2
|
B:LEU174
|
4.1
|
28.4
|
1.0
|
C6
|
B:F6F404
|
4.2
|
24.5
|
0.9
|
C3
|
B:F6F404
|
4.2
|
25.7
|
0.9
|
CB
|
B:CYS170
|
4.5
|
31.2
|
1.0
|
CD
|
B:PRO194
|
4.7
|
15.6
|
1.0
|
CD2
|
B:TYR186
|
4.7
|
18.4
|
1.0
|
CD2
|
B:LEU188
|
4.8
|
20.4
|
1.0
|
SG
|
B:CYS170
|
4.9
|
32.7
|
1.0
|
O
|
B:HOH894
|
4.9
|
32.6
|
0.5
|
O
|
B:CYS170
|
4.9
|
28.1
|
1.0
|
O
|
B:PHE280
|
4.9
|
18.7
|
1.0
|
CA
|
B:GLY193
|
5.0
|
14.4
|
1.0
|
|
Reference:
E.Hilario,
B.G.Caulkins,
Y.M.Huang,
W.You,
C.E.Chang,
L.J.Mueller,
M.F.Dunn,
L.Fan.
Visualizing the Tunnel in Tryptophan Synthase with Crystallography: Insights Into A Selective Filter For Accommodating Indole and Rejecting Water. Biochim.Biophys.Acta V.1864 268 2016.
ISSN: ISSN 0006-3002
PubMed: 26708480
DOI: 10.1016/J.BBAPAP.2015.12.006
Page generated: Thu Aug 1 06:35:26 2024
|