Fluorine in PDB 7n3j: E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
Enzymatic activity of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
All present enzymatic activity of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr:
5.2.1.8;
Protein crystallography data
The structure of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr, PDB code: 7n3j
was solved by
R.L.Frkic,
G.Otting,
C.J.Jackson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.42 /
2.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
34.138,
39.216,
103.715,
90,
95.35,
90
|
R / Rfree (%)
|
24.8 /
28.8
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
(pdb code 7n3j). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr, PDB code: 7n3j:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 7n3j
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Fluorine Binding Sites List in 7n3j
Fluorine binding site 1 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F27
b:52.4
occ:1.00
|
F1
|
A:05O27
|
0.0
|
52.4
|
1.0
|
CT
|
A:05O27
|
1.4
|
51.6
|
1.0
|
F3
|
A:05O27
|
2.2
|
57.0
|
1.0
|
F2
|
A:05O27
|
2.2
|
52.0
|
1.0
|
OH
|
A:05O27
|
2.4
|
51.7
|
1.0
|
CE2
|
A:05O27
|
2.7
|
45.9
|
1.0
|
CZ
|
A:05O27
|
2.9
|
48.1
|
1.0
|
CB
|
A:VAL2
|
3.1
|
57.9
|
1.0
|
CG2
|
A:VAL2
|
3.2
|
56.9
|
1.0
|
CG2
|
A:ILE13
|
3.5
|
41.3
|
1.0
|
CG1
|
A:VAL2
|
3.7
|
54.7
|
1.0
|
CG2
|
A:THR15
|
3.8
|
40.8
|
1.0
|
CB
|
A:ILE13
|
3.8
|
43.0
|
1.0
|
CD2
|
A:05O27
|
4.0
|
45.8
|
1.0
|
CE1
|
A:05O27
|
4.3
|
47.3
|
1.0
|
CA
|
A:VAL2
|
4.4
|
60.9
|
1.0
|
O
|
A:ILE13
|
4.5
|
43.8
|
1.0
|
N
|
A:VAL2
|
4.6
|
66.4
|
1.0
|
C
|
A:ILE13
|
4.7
|
38.9
|
1.0
|
CB
|
A:ALA124
|
4.7
|
29.0
|
1.0
|
CZ
|
A:PHE4
|
4.7
|
56.1
|
1.0
|
CD1
|
A:ILE13
|
4.8
|
43.1
|
1.0
|
CA
|
A:ILE13
|
4.9
|
40.6
|
1.0
|
CE1
|
A:PHE4
|
4.9
|
55.9
|
1.0
|
CG1
|
A:ILE13
|
4.9
|
38.4
|
1.0
|
O
|
A:VAL2
|
4.9
|
54.7
|
1.0
|
C
|
A:VAL2
|
4.9
|
54.1
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 7n3j
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Fluorine Binding Sites List in 7n3j
Fluorine binding site 2 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F27
b:52.0
occ:1.00
|
F2
|
A:05O27
|
0.0
|
52.0
|
1.0
|
CT
|
A:05O27
|
1.4
|
51.6
|
1.0
|
F3
|
A:05O27
|
2.2
|
57.0
|
1.0
|
F1
|
A:05O27
|
2.2
|
52.4
|
1.0
|
OH
|
A:05O27
|
2.2
|
51.7
|
1.0
|
CZ
|
A:05O27
|
2.7
|
48.1
|
1.0
|
CE2
|
A:05O27
|
2.9
|
45.9
|
1.0
|
CD2
|
A:LEU83
|
3.1
|
34.2
|
1.0
|
CG2
|
A:ILE13
|
3.3
|
41.3
|
1.0
|
CE1
|
A:05O27
|
3.9
|
47.3
|
1.0
|
CB
|
A:ALA124
|
3.9
|
29.0
|
1.0
|
CD1
|
A:ILE13
|
3.9
|
43.1
|
1.0
|
CB
|
A:ILE13
|
4.0
|
43.0
|
1.0
|
CZ
|
A:PHE4
|
4.0
|
56.1
|
1.0
|
CD2
|
A:05O27
|
4.1
|
45.8
|
1.0
|
CE2
|
A:PHE123
|
4.2
|
29.4
|
1.0
|
CG
|
A:LEU83
|
4.5
|
30.0
|
1.0
|
CG1
|
A:ILE13
|
4.5
|
38.4
|
1.0
|
CZ
|
A:PHE123
|
4.7
|
31.2
|
1.0
|
CE2
|
A:PHE4
|
4.7
|
54.5
|
1.0
|
CE1
|
A:PHE4
|
4.8
|
55.9
|
1.0
|
CD1
|
A:05O27
|
4.8
|
45.8
|
1.0
|
CB
|
A:LEU83
|
4.9
|
24.7
|
1.0
|
CG
|
A:05O27
|
4.9
|
43.8
|
1.0
|
CD1
|
A:LEU83
|
5.0
|
22.4
|
1.0
|
CD2
|
A:PHE123
|
5.0
|
28.9
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 7n3j
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Fluorine Binding Sites List in 7n3j
Fluorine binding site 3 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F27
b:57.0
occ:1.00
|
F3
|
A:05O27
|
0.0
|
57.0
|
1.0
|
CT
|
A:05O27
|
1.3
|
51.6
|
1.0
|
F1
|
A:05O27
|
2.2
|
52.4
|
1.0
|
F2
|
A:05O27
|
2.2
|
52.0
|
1.0
|
OH
|
A:05O27
|
2.3
|
51.7
|
1.0
|
CZ
|
A:PHE4
|
2.8
|
56.1
|
1.0
|
CD1
|
A:ILE13
|
3.2
|
43.1
|
1.0
|
CE1
|
A:PHE4
|
3.2
|
55.9
|
1.0
|
CB
|
A:ILE13
|
3.3
|
43.0
|
1.0
|
CG2
|
A:ILE13
|
3.5
|
41.3
|
1.0
|
CZ
|
A:05O27
|
3.5
|
48.1
|
1.0
|
CE2
|
A:PHE4
|
3.6
|
54.5
|
1.0
|
CB
|
A:VAL2
|
3.6
|
57.9
|
1.0
|
CG1
|
A:VAL2
|
3.7
|
54.7
|
1.0
|
CG1
|
A:ILE13
|
3.7
|
38.4
|
1.0
|
CE2
|
A:05O27
|
4.1
|
45.9
|
1.0
|
CD1
|
A:PHE4
|
4.2
|
52.9
|
1.0
|
CD2
|
A:LEU83
|
4.4
|
34.2
|
1.0
|
CD2
|
A:PHE4
|
4.4
|
49.2
|
1.0
|
CG2
|
A:VAL2
|
4.4
|
56.9
|
1.0
|
O
|
A:VAL2
|
4.5
|
54.7
|
1.0
|
CA
|
A:ILE13
|
4.6
|
40.6
|
1.0
|
CE1
|
A:05O27
|
4.6
|
47.3
|
1.0
|
C
|
A:VAL2
|
4.6
|
54.1
|
1.0
|
CG
|
A:PHE4
|
4.7
|
49.8
|
1.0
|
CA
|
A:VAL2
|
4.7
|
60.9
|
1.0
|
N
|
A:ILE13
|
5.0
|
46.2
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 7n3j
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Fluorine Binding Sites List in 7n3j
Fluorine binding site 4 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F98
b:56.8
occ:1.00
|
F1
|
A:05O98
|
0.0
|
56.8
|
1.0
|
CT
|
A:05O98
|
1.4
|
56.4
|
1.0
|
F3
|
A:05O98
|
2.2
|
55.1
|
1.0
|
F2
|
A:05O98
|
2.2
|
57.8
|
1.0
|
OH
|
A:05O98
|
2.3
|
53.5
|
1.0
|
CZ
|
A:05O98
|
2.9
|
48.3
|
1.0
|
CE1
|
A:05O98
|
2.9
|
44.7
|
1.0
|
CZ
|
A:PHE4
|
3.2
|
56.1
|
1.0
|
CE1
|
A:PHE4
|
3.3
|
55.9
|
1.0
|
CG
|
A:TYR36
|
3.3
|
45.7
|
1.0
|
CD2
|
A:TYR36
|
3.5
|
47.0
|
1.0
|
CD1
|
A:TYR36
|
3.6
|
46.7
|
1.0
|
CB
|
A:TYR36
|
3.7
|
47.8
|
1.0
|
CE2
|
A:TYR36
|
3.9
|
48.8
|
1.0
|
CE1
|
A:TYR36
|
4.0
|
46.7
|
1.0
|
CE2
|
A:PHE4
|
4.1
|
54.5
|
1.0
|
CD1
|
A:PHE4
|
4.1
|
52.9
|
1.0
|
CE2
|
A:05O98
|
4.1
|
43.7
|
1.0
|
CZ
|
A:TYR36
|
4.2
|
41.9
|
1.0
|
CD1
|
A:05O98
|
4.2
|
40.5
|
1.0
|
CE1
|
A:05O27
|
4.3
|
47.3
|
1.0
|
OH
|
A:05O27
|
4.5
|
51.7
|
1.0
|
CD2
|
A:PHE4
|
4.8
|
49.2
|
1.0
|
CG
|
A:PHE4
|
4.8
|
49.8
|
1.0
|
CZ
|
A:05O27
|
4.9
|
48.1
|
1.0
|
CG2
|
A:VAL160
|
4.9
|
58.3
|
1.0
|
CA
|
A:GLY53
|
4.9
|
42.5
|
1.0
|
CD1
|
A:ILE157
|
5.0
|
48.0
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 7n3j
Go back to
Fluorine Binding Sites List in 7n3j
Fluorine binding site 5 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F98
b:57.8
occ:1.00
|
F2
|
A:05O98
|
0.0
|
57.8
|
1.0
|
CT
|
A:05O98
|
1.4
|
56.4
|
1.0
|
F3
|
A:05O98
|
2.2
|
55.1
|
1.0
|
F1
|
A:05O98
|
2.2
|
56.8
|
1.0
|
OH
|
A:05O98
|
2.3
|
53.5
|
1.0
|
CD1
|
A:ILE157
|
3.1
|
48.0
|
1.0
|
CE1
|
A:PHE4
|
3.3
|
55.9
|
1.0
|
CZ
|
A:PHE4
|
3.3
|
56.1
|
1.0
|
CD1
|
A:PHE4
|
3.4
|
52.9
|
1.0
|
CE2
|
A:PHE4
|
3.5
|
54.5
|
1.0
|
CZ
|
A:05O98
|
3.6
|
48.3
|
1.0
|
CG
|
A:PHE4
|
3.6
|
49.8
|
1.0
|
CD2
|
A:PHE4
|
3.6
|
49.2
|
1.0
|
CG2
|
A:ILE157
|
3.8
|
52.6
|
1.0
|
CG1
|
A:ILE157
|
3.9
|
52.7
|
1.0
|
CE1
|
A:05O98
|
4.2
|
44.7
|
1.0
|
CB
|
A:ILE157
|
4.3
|
50.4
|
1.0
|
CB
|
A:PHE4
|
4.5
|
44.8
|
1.0
|
CB
|
A:TYR36
|
4.5
|
47.8
|
1.0
|
CG2
|
A:VAL160
|
4.6
|
58.3
|
1.0
|
CE2
|
A:05O98
|
4.6
|
43.7
|
1.0
|
CG
|
A:TYR36
|
4.7
|
45.7
|
1.0
|
OG1
|
A:THR39
|
4.9
|
49.6
|
1.0
|
CD1
|
A:TYR36
|
5.0
|
46.7
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 7n3j
Go back to
Fluorine Binding Sites List in 7n3j
Fluorine binding site 6 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F98
b:55.1
occ:1.00
|
F3
|
A:05O98
|
0.0
|
55.1
|
1.0
|
CT
|
A:05O98
|
1.4
|
56.4
|
1.0
|
F1
|
A:05O98
|
2.2
|
56.8
|
1.0
|
F2
|
A:05O98
|
2.2
|
57.8
|
1.0
|
OH
|
A:05O98
|
2.3
|
53.5
|
1.0
|
CZ
|
A:05O98
|
2.9
|
48.3
|
1.0
|
CE1
|
A:05O98
|
3.0
|
44.7
|
1.0
|
CA
|
A:GLY53
|
3.3
|
42.5
|
1.0
|
CD1
|
A:ILE157
|
3.5
|
48.0
|
1.0
|
N
|
A:GLY53
|
3.5
|
39.8
|
1.0
|
CD1
|
A:TYR36
|
3.5
|
46.7
|
1.0
|
CG
|
A:TYR36
|
3.8
|
45.7
|
1.0
|
OG1
|
A:THR39
|
4.0
|
49.6
|
1.0
|
CB
|
A:TYR36
|
4.1
|
47.8
|
1.0
|
CE1
|
A:TYR36
|
4.1
|
46.7
|
1.0
|
CE2
|
A:05O98
|
4.2
|
43.7
|
1.0
|
C
|
A:GLY52
|
4.3
|
41.1
|
1.0
|
CD1
|
A:05O98
|
4.3
|
40.5
|
1.0
|
C
|
A:GLY53
|
4.6
|
48.3
|
1.0
|
CD2
|
A:TYR36
|
4.7
|
47.0
|
1.0
|
CZ
|
A:PHE4
|
4.8
|
56.1
|
1.0
|
O
|
A:GLY52
|
4.8
|
38.9
|
1.0
|
CG1
|
A:ILE157
|
4.8
|
52.7
|
1.0
|
CZ
|
A:TYR36
|
4.9
|
41.9
|
1.0
|
O
|
A:TYR36
|
4.9
|
54.0
|
1.0
|
CA
|
A:TYR36
|
4.9
|
53.7
|
1.0
|
CA
|
A:GLY52
|
5.0
|
37.0
|
1.0
|
CE1
|
A:PHE4
|
5.0
|
55.9
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 7n3j
Go back to
Fluorine Binding Sites List in 7n3j
Fluorine binding site 7 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F27
b:67.5
occ:1.00
|
F1
|
B:05O27
|
0.0
|
67.5
|
1.0
|
CT
|
B:05O27
|
1.3
|
65.5
|
1.0
|
F2
|
B:05O27
|
2.2
|
58.3
|
1.0
|
F3
|
B:05O27
|
2.2
|
59.4
|
1.0
|
OH
|
B:05O27
|
2.3
|
61.8
|
1.0
|
CD1
|
B:ILE13
|
3.3
|
62.9
|
1.0
|
CD1
|
B:PHE4
|
3.3
|
70.3
|
1.0
|
F3
|
B:05O98
|
3.5
|
64.0
|
1.0
|
CG1
|
B:VAL2
|
3.5
|
68.8
|
1.0
|
CZ
|
B:05O27
|
3.5
|
65.5
|
1.0
|
CE1
|
B:PHE4
|
3.7
|
66.9
|
1.0
|
CB
|
B:VAL2
|
4.1
|
68.6
|
1.0
|
CE2
|
B:05O27
|
4.2
|
63.6
|
1.0
|
CT
|
B:05O98
|
4.3
|
66.1
|
1.0
|
CG1
|
B:ILE13
|
4.3
|
58.5
|
1.0
|
F2
|
B:05O98
|
4.4
|
69.3
|
1.0
|
CG
|
B:PHE4
|
4.4
|
71.7
|
1.0
|
OH
|
B:05O98
|
4.4
|
59.3
|
1.0
|
CB
|
B:ILE13
|
4.5
|
60.2
|
1.0
|
CE1
|
B:05O27
|
4.6
|
64.1
|
1.0
|
SG
|
B:CYS31
|
4.6
|
66.7
|
1.0
|
CB
|
B:PHE4
|
4.8
|
73.0
|
1.0
|
CG2
|
B:ILE13
|
4.8
|
56.9
|
1.0
|
CG1
|
B:VAL160
|
4.9
|
67.3
|
1.0
|
CZ
|
B:05O98
|
5.0
|
54.1
|
1.0
|
CZ
|
B:PHE4
|
5.0
|
73.6
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 7n3j
Go back to
Fluorine Binding Sites List in 7n3j
Fluorine binding site 8 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F27
b:58.3
occ:1.00
|
F2
|
B:05O27
|
0.0
|
58.3
|
1.0
|
CT
|
B:05O27
|
1.4
|
65.5
|
1.0
|
F1
|
B:05O27
|
2.2
|
67.5
|
1.0
|
F3
|
B:05O27
|
2.2
|
59.4
|
1.0
|
OH
|
B:05O27
|
2.3
|
61.8
|
1.0
|
F3
|
B:05O98
|
2.8
|
64.0
|
1.0
|
CE2
|
B:05O27
|
3.0
|
63.6
|
1.0
|
CZ
|
B:05O27
|
3.0
|
65.5
|
1.0
|
OH
|
B:05O98
|
3.2
|
59.3
|
1.0
|
CE2
|
B:05O98
|
3.2
|
56.4
|
1.0
|
CZ
|
B:05O98
|
3.2
|
54.1
|
1.0
|
CT
|
B:05O98
|
3.5
|
66.1
|
1.0
|
CD1
|
B:ILE13
|
3.5
|
62.9
|
1.0
|
CD2
|
B:LEU83
|
3.6
|
47.9
|
1.0
|
CD2
|
B:05O98
|
4.0
|
49.5
|
1.0
|
CE1
|
B:05O98
|
4.0
|
57.5
|
1.0
|
F2
|
B:05O98
|
4.2
|
69.3
|
1.0
|
CD2
|
B:05O27
|
4.3
|
63.0
|
1.0
|
CE1
|
B:05O27
|
4.3
|
64.1
|
1.0
|
CE1
|
B:PHE4
|
4.5
|
66.9
|
1.0
|
F1
|
B:05O98
|
4.6
|
64.7
|
1.0
|
CD1
|
B:PHE4
|
4.6
|
70.3
|
1.0
|
CD1
|
B:05O98
|
4.7
|
53.3
|
1.0
|
CG
|
B:05O98
|
4.7
|
47.4
|
1.0
|
CG1
|
B:ILE13
|
4.9
|
58.5
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 7n3j
Go back to
Fluorine Binding Sites List in 7n3j
Fluorine binding site 9 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F27
b:59.4
occ:1.00
|
F3
|
B:05O27
|
0.0
|
59.4
|
1.0
|
CT
|
B:05O27
|
1.4
|
65.5
|
1.0
|
F1
|
B:05O27
|
2.2
|
67.5
|
1.0
|
F2
|
B:05O27
|
2.2
|
58.3
|
1.0
|
OH
|
B:05O27
|
2.3
|
61.8
|
1.0
|
CZ
|
B:05O27
|
2.8
|
65.5
|
1.0
|
CE2
|
B:05O27
|
2.9
|
63.6
|
1.0
|
SG
|
B:CYS31
|
3.2
|
66.7
|
1.0
|
OH
|
B:05O98
|
3.4
|
59.3
|
1.0
|
CD2
|
B:TYR36
|
3.7
|
64.0
|
1.0
|
F3
|
B:05O98
|
3.8
|
64.0
|
1.0
|
CE2
|
B:TYR36
|
3.8
|
64.4
|
1.0
|
CZ
|
B:05O98
|
3.9
|
54.1
|
1.0
|
CE1
|
B:05O27
|
4.0
|
64.1
|
1.0
|
CT
|
B:05O98
|
4.0
|
66.1
|
1.0
|
CD2
|
B:05O27
|
4.1
|
63.0
|
1.0
|
F2
|
B:05O98
|
4.1
|
69.3
|
1.0
|
CG1
|
B:VAL2
|
4.2
|
68.8
|
1.0
|
CE1
|
B:05O98
|
4.4
|
57.5
|
1.0
|
CG
|
B:TYR36
|
4.5
|
65.0
|
1.0
|
CG1
|
B:VAL160
|
4.5
|
67.3
|
1.0
|
CE2
|
B:05O98
|
4.6
|
56.4
|
1.0
|
CZ
|
B:TYR36
|
4.7
|
63.3
|
1.0
|
CD1
|
B:PHE4
|
4.8
|
70.3
|
1.0
|
CD1
|
B:05O27
|
4.9
|
66.5
|
1.0
|
CB
|
B:CYS31
|
4.9
|
70.4
|
1.0
|
CG
|
B:05O27
|
5.0
|
65.5
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 7n3j
Go back to
Fluorine Binding Sites List in 7n3j
Fluorine binding site 10 out
of 12 in the E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of E. Coli Peptidyl-Prolyl Cis-Trans Isomerase, Mutant PHE27CF3- Tyr/PHE98CF3-Tyr within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F98
b:64.7
occ:1.00
|
F1
|
B:05O98
|
0.0
|
64.7
|
1.0
|
CT
|
B:05O98
|
1.3
|
66.1
|
1.0
|
F2
|
B:05O98
|
2.2
|
69.3
|
1.0
|
F3
|
B:05O98
|
2.2
|
64.0
|
1.0
|
OH
|
B:05O98
|
2.3
|
59.3
|
1.0
|
CZ
|
B:05O98
|
2.8
|
54.1
|
1.0
|
CE2
|
B:05O98
|
3.0
|
56.4
|
1.0
|
CZ
|
B:PHE41
|
3.3
|
50.0
|
1.0
|
CE1
|
B:PHE41
|
3.7
|
48.9
|
1.0
|
CE1
|
B:05O98
|
4.0
|
57.5
|
1.0
|
CE2
|
B:PHE41
|
4.0
|
53.6
|
1.0
|
CD1
|
B:ILE157
|
4.1
|
71.4
|
1.0
|
CG1
|
B:ILE157
|
4.2
|
70.6
|
1.0
|
CD2
|
B:05O98
|
4.2
|
49.5
|
1.0
|
CZ
|
B:PHE4
|
4.5
|
73.6
|
1.0
|
F2
|
B:05O27
|
4.6
|
58.3
|
1.0
|
CD1
|
B:PHE41
|
4.6
|
48.9
|
1.0
|
CE1
|
B:PHE4
|
4.7
|
66.9
|
1.0
|
CE2
|
B:PHE4
|
4.7
|
73.6
|
1.0
|
N
|
B:GLY53
|
4.8
|
56.5
|
1.0
|
C
|
B:GLY52
|
4.8
|
54.8
|
1.0
|
CD2
|
B:PHE41
|
4.9
|
53.4
|
1.0
|
CD1
|
B:05O98
|
5.0
|
53.3
|
1.0
|
|
Reference:
R.L.Frkic,
C.J.Jackson,
G.Otting,
H.Qianzhu,
E.Habel,
T.Huber.
Through-Space Scalar 19F-19F Couplings Between Fluorinated Non-Canonical Amino Acids For the Detection of Specific Contacts in Proteins To Be Published.
Page generated: Fri Aug 2 09:56:37 2024
|