Fluorine in PDB 1rby: Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Enzymatic activity of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
All present enzymatic activity of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar:
2.1.2.2;
Protein crystallography data
The structure of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar, PDB code: 1rby
was solved by
Y.Zhang,
J.Desharnais,
D.L.Boger,
I.A.Wilson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.67 /
2.10
|
Space group
|
P 31
|
Cell size a, b, c (Å), α, β, γ (°)
|
126.171,
126.171,
95.389,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
24.5 /
26.4
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
(pdb code 1rby). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar, PDB code: 1rby:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 1rby
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Fluorine Binding Sites List in 1rby
Fluorine binding site 1 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F510
b:24.0
occ:1.00
|
F2
|
A:KEU510
|
0.0
|
24.0
|
1.0
|
C6
|
A:KEU510
|
1.4
|
22.8
|
1.0
|
F1
|
A:KEU510
|
2.1
|
20.9
|
1.0
|
F
|
A:KEU510
|
2.3
|
23.8
|
1.0
|
C5
|
A:KEU510
|
2.5
|
23.1
|
1.0
|
OA1
|
A:KEU510
|
2.7
|
21.1
|
1.0
|
C10
|
A:KEU510
|
2.8
|
24.2
|
1.0
|
C11
|
A:KEU510
|
3.2
|
23.0
|
1.0
|
C16
|
A:KEU510
|
3.3
|
23.9
|
1.0
|
O22
|
A:GAR523
|
3.4
|
52.6
|
1.0
|
CA
|
A:SER118
|
3.5
|
23.3
|
1.0
|
OA2
|
A:KEU510
|
3.6
|
22.9
|
1.0
|
O
|
A:HOH590
|
3.6
|
42.0
|
1.0
|
CE
|
A:MET89
|
3.6
|
30.0
|
1.0
|
CB
|
A:SER118
|
3.6
|
23.5
|
1.0
|
SD
|
A:MET89
|
3.6
|
32.2
|
1.0
|
C1
|
A:KEU510
|
4.1
|
24.7
|
1.0
|
C15
|
A:KEU510
|
4.1
|
22.9
|
1.0
|
C12
|
A:KEU510
|
4.2
|
22.4
|
1.0
|
N
|
A:SER118
|
4.2
|
22.6
|
1.0
|
O
|
A:HOH607
|
4.4
|
32.7
|
1.0
|
C
|
A:SER118
|
4.5
|
23.5
|
1.0
|
O
|
A:SER118
|
4.6
|
25.2
|
1.0
|
O
|
A:GLY117
|
4.6
|
21.8
|
1.0
|
C
|
A:GLY117
|
4.6
|
22.2
|
1.0
|
C21
|
A:GAR523
|
4.6
|
48.8
|
1.0
|
O
|
A:PHE88
|
4.8
|
21.2
|
1.0
|
C14
|
A:KEU510
|
4.9
|
24.4
|
1.0
|
C13
|
A:KEU510
|
4.9
|
23.4
|
1.0
|
C3
|
A:GAR523
|
4.9
|
50.5
|
1.0
|
N19
|
A:GAR523
|
4.9
|
50.6
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 1rby
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Fluorine Binding Sites List in 1rby
Fluorine binding site 2 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F510
b:20.9
occ:1.00
|
F1
|
A:KEU510
|
0.0
|
20.9
|
1.0
|
C6
|
A:KEU510
|
1.3
|
22.8
|
1.0
|
F2
|
A:KEU510
|
2.1
|
24.0
|
1.0
|
C5
|
A:KEU510
|
2.2
|
23.1
|
1.0
|
O22
|
A:GAR523
|
2.2
|
52.6
|
1.0
|
F
|
A:KEU510
|
2.2
|
23.8
|
1.0
|
C10
|
A:KEU510
|
2.5
|
24.2
|
1.0
|
OA2
|
A:KEU510
|
2.9
|
22.9
|
1.0
|
C1
|
A:KEU510
|
3.0
|
24.7
|
1.0
|
C21
|
A:GAR523
|
3.0
|
48.8
|
1.0
|
C23
|
A:GAR523
|
3.1
|
48.6
|
1.0
|
N24
|
A:GAR523
|
3.3
|
41.4
|
1.0
|
OA1
|
A:KEU510
|
3.5
|
21.1
|
1.0
|
N19
|
A:GAR523
|
3.5
|
50.6
|
1.0
|
C11
|
A:KEU510
|
3.8
|
23.0
|
1.0
|
C16
|
A:KEU510
|
3.8
|
23.9
|
1.0
|
O
|
A:PHE88
|
3.9
|
21.2
|
1.0
|
CE
|
A:MET89
|
3.9
|
30.0
|
1.0
|
OD1
|
A:ASN106
|
4.1
|
21.1
|
1.0
|
C3
|
A:GAR523
|
4.1
|
50.5
|
1.0
|
O
|
A:ILE107
|
4.2
|
19.1
|
1.0
|
ND2
|
A:ASN106
|
4.3
|
19.8
|
1.0
|
SD
|
A:MET89
|
4.5
|
32.2
|
1.0
|
O
|
A:HOH590
|
4.6
|
42.0
|
1.0
|
O4
|
A:GAR523
|
4.6
|
50.3
|
1.0
|
C2
|
A:KEU510
|
4.6
|
24.3
|
1.0
|
CG
|
A:ASN106
|
4.7
|
21.5
|
1.0
|
ND1
|
A:HIS108
|
4.9
|
16.8
|
1.0
|
C
|
A:PHE88
|
5.0
|
22.6
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 1rby
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Fluorine Binding Sites List in 1rby
Fluorine binding site 3 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F510
b:23.8
occ:1.00
|
F
|
A:KEU510
|
0.0
|
23.8
|
1.0
|
C6
|
A:KEU510
|
1.3
|
22.8
|
1.0
|
F1
|
A:KEU510
|
2.2
|
20.9
|
1.0
|
F2
|
A:KEU510
|
2.3
|
24.0
|
1.0
|
C5
|
A:KEU510
|
2.4
|
23.1
|
1.0
|
OA2
|
A:KEU510
|
2.8
|
22.9
|
1.0
|
OA1
|
A:KEU510
|
2.9
|
21.1
|
1.0
|
O
|
A:HOH590
|
3.1
|
42.0
|
1.0
|
CD
|
A:PRO109
|
3.3
|
19.1
|
1.0
|
O22
|
A:GAR523
|
3.4
|
52.6
|
1.0
|
ND1
|
A:HIS108
|
3.5
|
16.8
|
1.0
|
C3
|
A:GAR523
|
3.6
|
50.5
|
1.0
|
O
|
A:HOH607
|
3.6
|
32.7
|
1.0
|
N19
|
A:GAR523
|
3.6
|
50.6
|
1.0
|
C10
|
A:KEU510
|
3.7
|
24.2
|
1.0
|
C21
|
A:GAR523
|
4.0
|
48.8
|
1.0
|
O
|
A:ILE107
|
4.1
|
19.1
|
1.0
|
CG
|
A:PRO109
|
4.2
|
20.6
|
1.0
|
CE1
|
A:HIS108
|
4.2
|
18.5
|
1.0
|
CA
|
A:HIS108
|
4.3
|
19.5
|
1.0
|
O4
|
A:GAR523
|
4.3
|
50.3
|
1.0
|
CG
|
A:HIS108
|
4.4
|
18.3
|
1.0
|
O
|
A:GLY117
|
4.5
|
21.8
|
1.0
|
C23
|
A:GAR523
|
4.5
|
48.6
|
1.0
|
CA
|
A:SER118
|
4.5
|
23.3
|
1.0
|
C1
|
A:KEU510
|
4.6
|
24.7
|
1.0
|
N
|
A:PRO109
|
4.6
|
19.6
|
1.0
|
CB
|
A:HIS108
|
4.6
|
19.0
|
1.0
|
O8
|
A:GAR523
|
4.7
|
52.7
|
1.0
|
CE
|
A:MET89
|
4.7
|
30.0
|
1.0
|
C2
|
A:GAR523
|
4.7
|
51.2
|
1.0
|
C11
|
A:KEU510
|
4.8
|
23.0
|
1.0
|
C
|
A:HIS108
|
5.0
|
19.0
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 1rby
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Fluorine Binding Sites List in 1rby
Fluorine binding site 4 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F610
b:25.5
occ:1.00
|
F2
|
B:KEU610
|
0.0
|
25.5
|
1.0
|
C6
|
B:KEU610
|
1.4
|
23.1
|
1.0
|
F1
|
B:KEU610
|
2.1
|
20.9
|
1.0
|
F
|
B:KEU610
|
2.2
|
22.8
|
1.0
|
C5
|
B:KEU610
|
2.5
|
25.3
|
1.0
|
OA1
|
B:KEU610
|
2.7
|
23.0
|
1.0
|
C10
|
B:KEU610
|
3.0
|
26.4
|
1.0
|
C11
|
B:KEU610
|
3.1
|
25.5
|
1.0
|
C16
|
B:KEU610
|
3.2
|
25.3
|
1.0
|
CE
|
B:MET89
|
3.4
|
29.0
|
1.0
|
O22
|
B:GAR623
|
3.5
|
48.4
|
1.0
|
CA
|
B:SER118
|
3.6
|
23.6
|
1.0
|
O
|
B:HOH693
|
3.6
|
36.0
|
1.0
|
OA2
|
B:KEU610
|
3.6
|
24.8
|
1.0
|
CB
|
B:SER118
|
3.6
|
24.0
|
1.0
|
SD
|
B:MET89
|
3.7
|
31.6
|
1.0
|
C12
|
B:KEU610
|
4.1
|
24.6
|
1.0
|
C15
|
B:KEU610
|
4.1
|
24.1
|
1.0
|
N
|
B:SER118
|
4.3
|
23.6
|
1.0
|
O
|
B:HOH680
|
4.4
|
34.9
|
1.0
|
C1
|
B:KEU610
|
4.5
|
30.2
|
1.0
|
C
|
B:SER118
|
4.6
|
23.6
|
1.0
|
O
|
B:SER118
|
4.6
|
24.8
|
1.0
|
O
|
B:GLY117
|
4.6
|
23.4
|
1.0
|
C
|
B:GLY117
|
4.7
|
23.4
|
1.0
|
C21
|
B:GAR623
|
4.7
|
44.2
|
1.0
|
O
|
B:PHE88
|
4.8
|
22.8
|
1.0
|
C14
|
B:KEU610
|
4.9
|
24.3
|
1.0
|
C13
|
B:KEU610
|
4.9
|
23.4
|
1.0
|
C3
|
B:GAR623
|
4.9
|
47.9
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 1rby
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Fluorine Binding Sites List in 1rby
Fluorine binding site 5 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F610
b:20.9
occ:1.00
|
F1
|
B:KEU610
|
0.0
|
20.9
|
1.0
|
C6
|
B:KEU610
|
1.3
|
23.1
|
1.0
|
F2
|
B:KEU610
|
2.1
|
25.5
|
1.0
|
F
|
B:KEU610
|
2.2
|
22.8
|
1.0
|
C5
|
B:KEU610
|
2.2
|
25.3
|
1.0
|
O22
|
B:GAR623
|
2.3
|
48.4
|
1.0
|
C10
|
B:KEU610
|
2.8
|
26.4
|
1.0
|
OA2
|
B:KEU610
|
2.9
|
24.8
|
1.0
|
C23
|
B:GAR623
|
3.0
|
42.5
|
1.0
|
C21
|
B:GAR623
|
3.0
|
44.2
|
1.0
|
N24
|
B:GAR623
|
3.2
|
33.6
|
1.0
|
OA1
|
B:KEU610
|
3.4
|
23.0
|
1.0
|
N19
|
B:GAR623
|
3.6
|
46.5
|
1.0
|
CE
|
B:MET89
|
3.7
|
29.0
|
1.0
|
C11
|
B:KEU610
|
3.7
|
25.5
|
1.0
|
C16
|
B:KEU610
|
3.8
|
25.3
|
1.0
|
O
|
B:PHE88
|
3.9
|
22.8
|
1.0
|
C1
|
B:KEU610
|
4.0
|
30.2
|
1.0
|
C3
|
B:GAR623
|
4.0
|
47.9
|
1.0
|
OD1
|
B:ASN106
|
4.1
|
21.4
|
1.0
|
O
|
B:ILE107
|
4.2
|
20.1
|
1.0
|
ND2
|
B:ASN106
|
4.3
|
21.6
|
1.0
|
C2
|
B:KEU610
|
4.4
|
29.2
|
1.0
|
O4
|
B:GAR623
|
4.5
|
48.3
|
1.0
|
O
|
B:HOH693
|
4.6
|
36.0
|
1.0
|
SD
|
B:MET89
|
4.6
|
31.6
|
1.0
|
CG
|
B:ASN106
|
4.6
|
21.0
|
1.0
|
ND1
|
B:HIS108
|
5.0
|
18.1
|
1.0
|
C
|
B:PHE88
|
5.0
|
22.7
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 1rby
Go back to
Fluorine Binding Sites List in 1rby
Fluorine binding site 6 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F610
b:22.8
occ:1.00
|
F
|
B:KEU610
|
0.0
|
22.8
|
1.0
|
C6
|
B:KEU610
|
1.3
|
23.1
|
1.0
|
F1
|
B:KEU610
|
2.2
|
20.9
|
1.0
|
F2
|
B:KEU610
|
2.2
|
25.5
|
1.0
|
C5
|
B:KEU610
|
2.3
|
25.3
|
1.0
|
OA2
|
B:KEU610
|
2.7
|
24.8
|
1.0
|
OA1
|
B:KEU610
|
2.7
|
23.0
|
1.0
|
O
|
B:HOH693
|
3.2
|
36.0
|
1.0
|
CD
|
B:PRO109
|
3.3
|
18.9
|
1.0
|
ND1
|
B:HIS108
|
3.4
|
18.1
|
1.0
|
O22
|
B:GAR623
|
3.5
|
48.4
|
1.0
|
C3
|
B:GAR623
|
3.7
|
47.9
|
1.0
|
O
|
B:HOH680
|
3.7
|
34.9
|
1.0
|
C10
|
B:KEU610
|
3.7
|
26.4
|
1.0
|
N19
|
B:GAR623
|
3.9
|
46.5
|
1.0
|
O
|
B:ILE107
|
4.1
|
20.1
|
1.0
|
C21
|
B:GAR623
|
4.1
|
44.2
|
1.0
|
CE1
|
B:HIS108
|
4.1
|
22.3
|
1.0
|
CG
|
B:PRO109
|
4.2
|
20.9
|
1.0
|
CA
|
B:HIS108
|
4.3
|
19.5
|
1.0
|
O4
|
B:GAR623
|
4.4
|
48.3
|
1.0
|
CG
|
B:HIS108
|
4.4
|
20.0
|
1.0
|
C23
|
B:GAR623
|
4.5
|
42.5
|
1.0
|
O
|
B:GLY117
|
4.5
|
23.4
|
1.0
|
CA
|
B:SER118
|
4.6
|
23.6
|
1.0
|
C11
|
B:KEU610
|
4.6
|
25.5
|
1.0
|
O8
|
B:GAR623
|
4.6
|
47.5
|
1.0
|
N
|
B:PRO109
|
4.6
|
19.7
|
1.0
|
CB
|
B:HIS108
|
4.6
|
19.7
|
1.0
|
CE
|
B:MET89
|
4.7
|
29.0
|
1.0
|
C2
|
B:GAR623
|
4.8
|
48.1
|
1.0
|
C1
|
B:KEU610
|
4.9
|
30.2
|
1.0
|
ND2
|
B:ASN106
|
5.0
|
21.6
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 1rby
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Fluorine Binding Sites List in 1rby
Fluorine binding site 7 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F710
b:31.0
occ:1.00
|
F2
|
C:KEU710
|
0.0
|
31.0
|
1.0
|
C6
|
C:KEU710
|
1.4
|
31.6
|
1.0
|
F1
|
C:KEU710
|
2.1
|
30.6
|
1.0
|
F
|
C:KEU710
|
2.3
|
32.4
|
1.0
|
C5
|
C:KEU710
|
2.5
|
33.0
|
1.0
|
OA1
|
C:KEU710
|
2.7
|
30.4
|
1.0
|
C10
|
C:KEU710
|
3.0
|
34.2
|
1.0
|
C11
|
C:KEU710
|
3.1
|
36.5
|
1.0
|
CE
|
C:MET89
|
3.2
|
37.7
|
1.0
|
C16
|
C:KEU710
|
3.2
|
38.0
|
1.0
|
O
|
C:HOH787
|
3.5
|
38.5
|
1.0
|
OA2
|
C:KEU710
|
3.5
|
32.8
|
1.0
|
SD
|
C:MET89
|
3.6
|
39.4
|
1.0
|
CA
|
C:SER118
|
3.6
|
32.6
|
1.0
|
CB
|
C:SER118
|
3.8
|
34.2
|
1.0
|
C12
|
C:KEU710
|
4.1
|
37.7
|
1.0
|
C15
|
C:KEU710
|
4.2
|
40.0
|
1.0
|
O
|
C:HOH725
|
4.3
|
27.5
|
1.0
|
N
|
C:SER118
|
4.4
|
32.5
|
1.0
|
O
|
C:HOH820
|
4.4
|
47.1
|
1.0
|
C1
|
C:KEU710
|
4.6
|
35.9
|
1.0
|
O
|
C:GLY117
|
4.6
|
29.1
|
1.0
|
C
|
C:SER118
|
4.6
|
32.5
|
1.0
|
C
|
C:GLY117
|
4.7
|
30.9
|
1.0
|
O
|
C:SER118
|
4.7
|
33.4
|
1.0
|
C13
|
C:KEU710
|
4.9
|
40.0
|
1.0
|
C14
|
C:KEU710
|
4.9
|
41.0
|
1.0
|
O
|
C:HOH746
|
5.0
|
29.9
|
1.0
|
O
|
C:PHE88
|
5.0
|
32.4
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 1rby
Go back to
Fluorine Binding Sites List in 1rby
Fluorine binding site 8 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F710
b:30.6
occ:1.00
|
F1
|
C:KEU710
|
0.0
|
30.6
|
1.0
|
C6
|
C:KEU710
|
1.3
|
31.6
|
1.0
|
F2
|
C:KEU710
|
2.1
|
31.0
|
1.0
|
C5
|
C:KEU710
|
2.2
|
33.0
|
1.0
|
F
|
C:KEU710
|
2.2
|
32.4
|
1.0
|
C10
|
C:KEU710
|
2.7
|
34.2
|
1.0
|
OA2
|
C:KEU710
|
2.9
|
32.8
|
1.0
|
O
|
C:HOH746
|
3.2
|
29.9
|
1.0
|
O
|
C:HOH727
|
3.3
|
30.3
|
1.0
|
CE
|
C:MET89
|
3.4
|
37.7
|
1.0
|
OA1
|
C:KEU710
|
3.4
|
30.4
|
1.0
|
C11
|
C:KEU710
|
3.6
|
36.5
|
1.0
|
C16
|
C:KEU710
|
3.6
|
38.0
|
1.0
|
O
|
C:HOH820
|
3.8
|
47.1
|
1.0
|
C1
|
C:KEU710
|
3.9
|
35.9
|
1.0
|
O
|
C:PHE88
|
3.9
|
32.4
|
1.0
|
ND2
|
C:ASN106
|
4.0
|
28.4
|
1.0
|
O
|
C:ILE107
|
4.3
|
22.8
|
1.0
|
C2
|
C:KEU710
|
4.3
|
33.4
|
1.0
|
OD1
|
C:ASN106
|
4.4
|
27.4
|
1.0
|
SD
|
C:MET89
|
4.4
|
39.4
|
1.0
|
O
|
C:HOH787
|
4.5
|
38.5
|
1.0
|
CG
|
C:ASN106
|
4.7
|
26.9
|
1.0
|
C15
|
C:KEU710
|
4.9
|
40.0
|
1.0
|
C12
|
C:KEU710
|
5.0
|
37.7
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 1rby
Go back to
Fluorine Binding Sites List in 1rby
Fluorine binding site 9 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F710
b:32.4
occ:1.00
|
F
|
C:KEU710
|
0.0
|
32.4
|
1.0
|
C6
|
C:KEU710
|
1.4
|
31.6
|
1.0
|
F1
|
C:KEU710
|
2.2
|
30.6
|
1.0
|
F2
|
C:KEU710
|
2.3
|
31.0
|
1.0
|
C5
|
C:KEU710
|
2.4
|
33.0
|
1.0
|
OA2
|
C:KEU710
|
2.7
|
32.8
|
1.0
|
O
|
C:HOH787
|
2.9
|
38.5
|
1.0
|
OA1
|
C:KEU710
|
2.9
|
30.4
|
1.0
|
O
|
C:HOH820
|
3.2
|
47.1
|
1.0
|
CD
|
C:PRO109
|
3.4
|
22.1
|
1.0
|
CD2
|
C:HIS108
|
3.6
|
25.6
|
1.0
|
O
|
C:HOH725
|
3.7
|
27.5
|
1.0
|
C10
|
C:KEU710
|
3.8
|
34.2
|
1.0
|
O
|
C:HOH746
|
4.0
|
29.9
|
1.0
|
O
|
C:ILE107
|
4.0
|
22.8
|
1.0
|
CA
|
C:HIS108
|
4.2
|
22.4
|
1.0
|
CG
|
C:PRO109
|
4.3
|
23.3
|
1.0
|
NE2
|
C:HIS108
|
4.4
|
24.9
|
1.0
|
CE
|
C:MET89
|
4.4
|
37.7
|
1.0
|
CG
|
C:HIS108
|
4.5
|
24.2
|
1.0
|
CB
|
C:HIS108
|
4.6
|
22.9
|
1.0
|
N
|
C:PRO109
|
4.6
|
21.8
|
1.0
|
C11
|
C:KEU710
|
4.7
|
36.5
|
1.0
|
O
|
C:GLY117
|
4.7
|
29.1
|
1.0
|
CA
|
C:SER118
|
4.9
|
32.6
|
1.0
|
C
|
C:ILE107
|
4.9
|
22.9
|
1.0
|
C1
|
C:KEU710
|
5.0
|
35.9
|
1.0
|
OD1
|
C:ASN106
|
5.0
|
27.4
|
1.0
|
C
|
C:HIS108
|
5.0
|
21.7
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 1rby
Go back to
Fluorine Binding Sites List in 1rby
Fluorine binding site 10 out
of 12 in the Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid and Substrate Beta-Gar within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F810
b:31.1
occ:1.00
|
F2
|
D:KEU810
|
0.0
|
31.1
|
1.0
|
C6
|
D:KEU810
|
1.4
|
31.0
|
1.0
|
F1
|
D:KEU810
|
2.1
|
29.9
|
1.0
|
F
|
D:KEU810
|
2.3
|
31.8
|
1.0
|
C5
|
D:KEU810
|
2.5
|
31.8
|
1.0
|
OA1
|
D:KEU810
|
2.7
|
29.9
|
1.0
|
C10
|
D:KEU810
|
3.0
|
33.1
|
1.0
|
C11
|
D:KEU810
|
3.1
|
34.7
|
1.0
|
C16
|
D:KEU810
|
3.2
|
37.0
|
1.0
|
CE
|
D:MET89
|
3.2
|
38.5
|
1.0
|
O
|
D:HOH896
|
3.4
|
37.1
|
1.0
|
CA
|
D:SER118
|
3.5
|
32.0
|
1.0
|
CB
|
D:SER118
|
3.5
|
33.1
|
1.0
|
OA2
|
D:KEU810
|
3.5
|
30.2
|
1.0
|
SD
|
D:MET89
|
3.6
|
39.5
|
1.0
|
C12
|
D:KEU810
|
4.1
|
36.3
|
1.0
|
C15
|
D:KEU810
|
4.1
|
38.0
|
1.0
|
O
|
D:HOH819
|
4.2
|
24.5
|
1.0
|
N
|
D:SER118
|
4.3
|
32.2
|
1.0
|
C1
|
D:KEU810
|
4.6
|
35.0
|
1.0
|
C
|
D:SER118
|
4.6
|
31.8
|
1.0
|
O
|
D:GLY117
|
4.6
|
29.5
|
1.0
|
C
|
D:GLY117
|
4.7
|
31.0
|
1.0
|
O
|
D:SER118
|
4.7
|
33.1
|
1.0
|
C13
|
D:KEU810
|
4.9
|
38.1
|
1.0
|
C14
|
D:KEU810
|
4.9
|
39.1
|
1.0
|
OG
|
D:SER118
|
5.0
|
34.8
|
1.0
|
|
Reference:
Y.Zhang,
J.Desharnais,
D.L.Boger,
I.A.Wilson.
Human Gar Tfase Complex Structure To Be Published.
Page generated: Wed Jul 31 12:36:16 2024
|