Fluorine in PDB 1rbq: Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid
Enzymatic activity of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid
All present enzymatic activity of Human Gar Tfase Complex Structure with 10-(Trifluoroacetyl)- 5,10-Dideazaacyclic-5,6,7,8-Tetrahydrofolic Acid:
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, PDB code: 1rbq
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)
|
38.07 /
2.10
|
Space group
|
P 31
|
Cell size a, b, c (Å), α, β, γ (°)
|
126.594,
126.594,
94.740,
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
(pdb code 1rbq). 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, PDB code: 1rbq:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 1rbq
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Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F510
b:31.1
occ:1.00
|
F2
|
A:KEU510
|
0.0
|
31.1
|
1.0
|
C6
|
A:KEU510
|
1.4
|
28.7
|
1.0
|
F1
|
A:KEU510
|
2.1
|
27.3
|
1.0
|
F
|
A:KEU510
|
2.3
|
30.7
|
1.0
|
C5
|
A:KEU510
|
2.5
|
30.9
|
1.0
|
OA1
|
A:KEU510
|
2.7
|
27.7
|
1.0
|
C10
|
A:KEU510
|
2.8
|
30.4
|
1.0
|
C11
|
A:KEU510
|
3.2
|
28.7
|
1.0
|
CE
|
A:MET89
|
3.3
|
35.9
|
1.0
|
C16
|
A:KEU510
|
3.3
|
27.6
|
1.0
|
CA
|
A:SER118
|
3.5
|
26.9
|
1.0
|
SD
|
A:MET89
|
3.6
|
35.7
|
1.0
|
OA2
|
A:KEU510
|
3.6
|
30.9
|
1.0
|
CB
|
A:SER118
|
3.6
|
27.5
|
1.0
|
O
|
A:HOH581
|
3.7
|
40.9
|
1.0
|
C1
|
A:KEU510
|
4.1
|
29.2
|
1.0
|
C12
|
A:KEU510
|
4.2
|
27.4
|
1.0
|
C15
|
A:KEU510
|
4.2
|
30.2
|
1.0
|
N
|
A:SER118
|
4.2
|
27.5
|
1.0
|
O
|
A:HOH586
|
4.4
|
36.8
|
1.0
|
O
|
A:HOH606
|
4.5
|
38.8
|
1.0
|
C
|
A:SER118
|
4.5
|
26.4
|
1.0
|
O
|
A:SER118
|
4.6
|
27.1
|
1.0
|
O
|
A:GLY117
|
4.6
|
27.4
|
1.0
|
C
|
A:GLY117
|
4.6
|
28.0
|
1.0
|
O
|
A:PHE88
|
4.9
|
27.4
|
1.0
|
O
|
A:HOH532
|
4.9
|
27.6
|
1.0
|
C13
|
A:KEU510
|
4.9
|
29.0
|
1.0
|
C14
|
A:KEU510
|
5.0
|
30.7
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 1rbq
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Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F510
b:27.3
occ:1.00
|
F1
|
A:KEU510
|
0.0
|
27.3
|
1.0
|
C6
|
A:KEU510
|
1.3
|
28.7
|
1.0
|
C5
|
A:KEU510
|
2.1
|
30.9
|
1.0
|
F2
|
A:KEU510
|
2.1
|
31.1
|
1.0
|
F
|
A:KEU510
|
2.2
|
30.7
|
1.0
|
C10
|
A:KEU510
|
2.5
|
30.4
|
1.0
|
OA2
|
A:KEU510
|
2.8
|
30.9
|
1.0
|
C1
|
A:KEU510
|
3.0
|
29.2
|
1.0
|
O
|
A:HOH532
|
3.1
|
27.6
|
1.0
|
O
|
A:HOH535
|
3.3
|
28.7
|
1.0
|
OA1
|
A:KEU510
|
3.4
|
27.7
|
1.0
|
CE
|
A:MET89
|
3.6
|
35.9
|
1.0
|
C11
|
A:KEU510
|
3.7
|
28.7
|
1.0
|
O
|
A:HOH606
|
3.8
|
38.8
|
1.0
|
C16
|
A:KEU510
|
3.8
|
27.6
|
1.0
|
O
|
A:PHE88
|
4.0
|
27.4
|
1.0
|
OD1
|
A:ASN106
|
4.1
|
26.3
|
1.0
|
O
|
A:ILE107
|
4.1
|
24.8
|
1.0
|
ND2
|
A:ASN106
|
4.2
|
25.7
|
1.0
|
SD
|
A:MET89
|
4.6
|
35.7
|
1.0
|
CG
|
A:ASN106
|
4.6
|
26.2
|
1.0
|
O
|
A:HOH581
|
4.7
|
40.9
|
1.0
|
C2
|
A:KEU510
|
4.7
|
30.0
|
1.0
|
ND1
|
A:HIS108
|
4.9
|
23.5
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 1rbq
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Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F510
b:30.7
occ:1.00
|
F
|
A:KEU510
|
0.0
|
30.7
|
1.0
|
C6
|
A:KEU510
|
1.3
|
28.7
|
1.0
|
F1
|
A:KEU510
|
2.2
|
27.3
|
1.0
|
F2
|
A:KEU510
|
2.3
|
31.1
|
1.0
|
C5
|
A:KEU510
|
2.3
|
30.9
|
1.0
|
OA2
|
A:KEU510
|
2.7
|
30.9
|
1.0
|
OA1
|
A:KEU510
|
2.8
|
27.7
|
1.0
|
O
|
A:HOH581
|
3.2
|
40.9
|
1.0
|
CD
|
A:PRO109
|
3.3
|
24.8
|
1.0
|
ND1
|
A:HIS108
|
3.4
|
23.5
|
1.0
|
O
|
A:HOH606
|
3.4
|
38.8
|
1.0
|
O
|
A:HOH586
|
3.5
|
36.8
|
1.0
|
C10
|
A:KEU510
|
3.6
|
30.4
|
1.0
|
O
|
A:HOH532
|
4.0
|
27.6
|
1.0
|
CE1
|
A:HIS108
|
4.1
|
22.5
|
1.0
|
CG
|
A:PRO109
|
4.1
|
25.0
|
1.0
|
O
|
A:ILE107
|
4.2
|
24.8
|
1.0
|
CA
|
A:HIS108
|
4.3
|
24.4
|
1.0
|
CG
|
A:HIS108
|
4.3
|
24.6
|
1.0
|
O
|
A:GLY117
|
4.4
|
27.4
|
1.0
|
CA
|
A:SER118
|
4.5
|
26.9
|
1.0
|
N
|
A:PRO109
|
4.5
|
24.4
|
1.0
|
CE
|
A:MET89
|
4.5
|
35.9
|
1.0
|
C1
|
A:KEU510
|
4.6
|
29.2
|
1.0
|
CB
|
A:HIS108
|
4.6
|
24.1
|
1.0
|
C11
|
A:KEU510
|
4.7
|
28.7
|
1.0
|
C
|
A:HIS108
|
4.9
|
24.3
|
1.0
|
C
|
A:GLY117
|
5.0
|
28.0
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 1rbq
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Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F610
b:31.1
occ:1.00
|
F2
|
B:KEU610
|
0.0
|
31.1
|
1.0
|
C6
|
B:KEU610
|
1.4
|
31.1
|
1.0
|
F1
|
B:KEU610
|
2.1
|
29.4
|
1.0
|
F
|
B:KEU610
|
2.3
|
31.9
|
1.0
|
C5
|
B:KEU610
|
2.5
|
33.2
|
1.0
|
OA1
|
B:KEU610
|
2.8
|
32.4
|
1.0
|
C10
|
B:KEU610
|
2.8
|
32.7
|
1.0
|
C11
|
B:KEU610
|
3.1
|
31.0
|
1.0
|
C16
|
B:KEU610
|
3.2
|
30.5
|
1.0
|
CE
|
B:MET89
|
3.2
|
34.4
|
1.0
|
CA
|
B:SER118
|
3.5
|
28.4
|
1.0
|
CB
|
B:SER118
|
3.6
|
28.9
|
1.0
|
SD
|
B:MET89
|
3.6
|
34.6
|
1.0
|
OA2
|
B:KEU610
|
3.6
|
35.0
|
1.0
|
O
|
B:HOH718
|
3.8
|
37.4
|
1.0
|
C15
|
B:KEU610
|
4.1
|
30.5
|
1.0
|
C12
|
B:KEU610
|
4.1
|
29.9
|
1.0
|
C1
|
B:KEU610
|
4.1
|
33.0
|
1.0
|
N
|
B:SER118
|
4.3
|
28.8
|
1.0
|
O
|
B:HOH663
|
4.5
|
37.2
|
1.0
|
O
|
B:HOH705
|
4.5
|
36.9
|
1.0
|
C
|
B:SER118
|
4.6
|
27.8
|
1.0
|
O
|
B:SER118
|
4.6
|
27.8
|
1.0
|
O
|
B:GLY117
|
4.6
|
27.9
|
1.0
|
C
|
B:GLY117
|
4.7
|
28.9
|
1.0
|
O
|
B:PHE88
|
4.8
|
27.4
|
1.0
|
C14
|
B:KEU610
|
4.8
|
30.5
|
1.0
|
C13
|
B:KEU610
|
4.8
|
29.8
|
1.0
|
OG
|
B:SER118
|
5.0
|
29.5
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 1rbq
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Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F610
b:29.4
occ:1.00
|
F1
|
B:KEU610
|
0.0
|
29.4
|
1.0
|
C6
|
B:KEU610
|
1.3
|
31.1
|
1.0
|
F2
|
B:KEU610
|
2.1
|
31.1
|
1.0
|
C5
|
B:KEU610
|
2.1
|
33.2
|
1.0
|
F
|
B:KEU610
|
2.2
|
31.9
|
1.0
|
C10
|
B:KEU610
|
2.5
|
32.7
|
1.0
|
OA2
|
B:KEU610
|
2.8
|
35.0
|
1.0
|
C1
|
B:KEU610
|
3.1
|
33.0
|
1.0
|
O
|
B:HOH640
|
3.2
|
26.9
|
1.0
|
O
|
B:HOH635
|
3.3
|
31.0
|
1.0
|
OA1
|
B:KEU610
|
3.5
|
32.4
|
1.0
|
CE
|
B:MET89
|
3.5
|
34.4
|
1.0
|
C11
|
B:KEU610
|
3.7
|
31.0
|
1.0
|
O
|
B:HOH705
|
3.8
|
36.9
|
1.0
|
C16
|
B:KEU610
|
3.8
|
30.5
|
1.0
|
O
|
B:PHE88
|
4.0
|
27.4
|
1.0
|
OD1
|
B:ASN106
|
4.1
|
26.1
|
1.0
|
O
|
B:ILE107
|
4.2
|
25.3
|
1.0
|
ND2
|
B:ASN106
|
4.4
|
26.6
|
1.0
|
SD
|
B:MET89
|
4.6
|
34.6
|
1.0
|
O
|
B:HOH718
|
4.7
|
37.4
|
1.0
|
C2
|
B:KEU610
|
4.7
|
31.9
|
1.0
|
CG
|
B:ASN106
|
4.7
|
27.8
|
1.0
|
ND1
|
B:HIS108
|
4.9
|
23.1
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 1rbq
Go back to
Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F610
b:31.9
occ:1.00
|
F
|
B:KEU610
|
0.0
|
31.9
|
1.0
|
C6
|
B:KEU610
|
1.3
|
31.1
|
1.0
|
F1
|
B:KEU610
|
2.2
|
29.4
|
1.0
|
F2
|
B:KEU610
|
2.3
|
31.1
|
1.0
|
C5
|
B:KEU610
|
2.3
|
33.2
|
1.0
|
OA2
|
B:KEU610
|
2.7
|
35.0
|
1.0
|
OA1
|
B:KEU610
|
2.8
|
32.4
|
1.0
|
O
|
B:HOH718
|
3.2
|
37.4
|
1.0
|
CD
|
B:PRO109
|
3.4
|
25.0
|
1.0
|
O
|
B:HOH705
|
3.4
|
36.9
|
1.0
|
ND1
|
B:HIS108
|
3.5
|
23.1
|
1.0
|
O
|
B:HOH663
|
3.5
|
37.2
|
1.0
|
C10
|
B:KEU610
|
3.6
|
32.7
|
1.0
|
CG
|
B:PRO109
|
4.1
|
25.0
|
1.0
|
CE1
|
B:HIS108
|
4.2
|
25.8
|
1.0
|
O
|
B:HOH635
|
4.2
|
31.0
|
1.0
|
O
|
B:ILE107
|
4.3
|
25.3
|
1.0
|
O
|
B:GLY117
|
4.4
|
27.9
|
1.0
|
CA
|
B:HIS108
|
4.4
|
24.3
|
1.0
|
CG
|
B:HIS108
|
4.4
|
24.6
|
1.0
|
CA
|
B:SER118
|
4.4
|
28.4
|
1.0
|
CE
|
B:MET89
|
4.5
|
34.4
|
1.0
|
C1
|
B:KEU610
|
4.6
|
33.0
|
1.0
|
N
|
B:PRO109
|
4.6
|
24.2
|
1.0
|
C11
|
B:KEU610
|
4.7
|
31.0
|
1.0
|
CB
|
B:HIS108
|
4.7
|
23.9
|
1.0
|
C
|
B:GLY117
|
5.0
|
28.9
|
1.0
|
O
|
B:SER118
|
5.0
|
27.8
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 1rbq
Go back to
Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F710
b:38.5
occ:1.00
|
F2
|
C:KEU710
|
0.0
|
38.5
|
1.0
|
C6
|
C:KEU710
|
1.4
|
40.0
|
1.0
|
F1
|
C:KEU710
|
2.1
|
39.5
|
1.0
|
F
|
C:KEU710
|
2.3
|
41.7
|
1.0
|
C5
|
C:KEU710
|
2.5
|
40.6
|
1.0
|
OA1
|
C:KEU710
|
2.7
|
37.9
|
1.0
|
C10
|
C:KEU710
|
3.1
|
41.8
|
1.0
|
C11
|
C:KEU710
|
3.1
|
43.2
|
1.0
|
CE
|
C:MET89
|
3.3
|
44.0
|
1.0
|
C16
|
C:KEU710
|
3.3
|
45.0
|
1.0
|
O
|
C:HOH786
|
3.5
|
46.8
|
1.0
|
OA2
|
C:KEU710
|
3.5
|
39.0
|
1.0
|
SD
|
C:MET89
|
3.6
|
43.7
|
1.0
|
CA
|
C:SER118
|
3.7
|
37.1
|
1.0
|
CB
|
C:SER118
|
3.7
|
38.4
|
1.0
|
C12
|
C:KEU710
|
4.1
|
44.1
|
1.0
|
O
|
C:HOH725
|
4.2
|
32.7
|
1.0
|
C15
|
C:KEU710
|
4.2
|
46.2
|
1.0
|
N
|
C:SER118
|
4.5
|
37.2
|
1.0
|
C1
|
C:KEU710
|
4.6
|
43.2
|
1.0
|
O
|
C:GLY117
|
4.6
|
34.0
|
1.0
|
C
|
C:SER118
|
4.7
|
37.0
|
1.0
|
C
|
C:GLY117
|
4.7
|
35.9
|
1.0
|
O
|
C:SER118
|
4.8
|
37.6
|
1.0
|
C13
|
C:KEU710
|
4.9
|
45.7
|
1.0
|
C14
|
C:KEU710
|
4.9
|
47.2
|
1.0
|
ND1
|
C:HIS108
|
5.0
|
28.7
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 1rbq
Go back to
Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F710
b:39.5
occ:1.00
|
F1
|
C:KEU710
|
0.0
|
39.5
|
1.0
|
C6
|
C:KEU710
|
1.3
|
40.0
|
1.0
|
F2
|
C:KEU710
|
2.1
|
38.5
|
1.0
|
C5
|
C:KEU710
|
2.2
|
40.6
|
1.0
|
F
|
C:KEU710
|
2.2
|
41.7
|
1.0
|
C10
|
C:KEU710
|
2.7
|
41.8
|
1.0
|
OA2
|
C:KEU710
|
2.8
|
39.0
|
1.0
|
CE
|
C:MET89
|
3.2
|
44.0
|
1.0
|
O
|
C:HOH732
|
3.3
|
34.1
|
1.0
|
O
|
C:HOH794
|
3.3
|
38.3
|
1.0
|
OA1
|
C:KEU710
|
3.4
|
37.9
|
1.0
|
C11
|
C:KEU710
|
3.7
|
43.2
|
1.0
|
C16
|
C:KEU710
|
3.7
|
45.0
|
1.0
|
C1
|
C:KEU710
|
4.0
|
43.2
|
1.0
|
O
|
C:PHE88
|
4.0
|
35.4
|
1.0
|
OD1
|
C:ASN106
|
4.1
|
30.7
|
1.0
|
O
|
C:ILE107
|
4.3
|
28.8
|
1.0
|
C2
|
C:KEU710
|
4.3
|
42.1
|
1.0
|
SD
|
C:MET89
|
4.4
|
43.7
|
1.0
|
ND2
|
C:ASN106
|
4.4
|
28.9
|
1.0
|
O
|
C:HOH786
|
4.5
|
46.8
|
1.0
|
CG
|
C:ASN106
|
4.7
|
31.0
|
1.0
|
C15
|
C:KEU710
|
5.0
|
46.2
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 1rbq
Go back to
Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F710
b:41.7
occ:1.00
|
F
|
C:KEU710
|
0.0
|
41.7
|
1.0
|
C6
|
C:KEU710
|
1.3
|
40.0
|
1.0
|
F1
|
C:KEU710
|
2.2
|
39.5
|
1.0
|
F2
|
C:KEU710
|
2.3
|
38.5
|
1.0
|
C5
|
C:KEU710
|
2.4
|
40.6
|
1.0
|
OA2
|
C:KEU710
|
2.7
|
39.0
|
1.0
|
OA1
|
C:KEU710
|
2.8
|
37.9
|
1.0
|
O
|
C:HOH786
|
3.1
|
46.8
|
1.0
|
CD
|
C:PRO109
|
3.4
|
26.5
|
1.0
|
O
|
C:HOH725
|
3.5
|
32.7
|
1.0
|
ND1
|
C:HIS108
|
3.5
|
28.7
|
1.0
|
C10
|
C:KEU710
|
3.8
|
41.8
|
1.0
|
O
|
C:ILE107
|
4.1
|
28.8
|
1.0
|
O
|
C:HOH794
|
4.2
|
38.3
|
1.0
|
CA
|
C:HIS108
|
4.2
|
26.9
|
1.0
|
CG
|
C:PRO109
|
4.2
|
27.1
|
1.0
|
CG
|
C:HIS108
|
4.3
|
28.1
|
1.0
|
CE1
|
C:HIS108
|
4.4
|
31.5
|
1.0
|
CE
|
C:MET89
|
4.5
|
44.0
|
1.0
|
N
|
C:PRO109
|
4.6
|
25.9
|
1.0
|
CB
|
C:HIS108
|
4.6
|
27.5
|
1.0
|
O
|
C:GLY117
|
4.6
|
34.0
|
1.0
|
C11
|
C:KEU710
|
4.7
|
43.2
|
1.0
|
CA
|
C:SER118
|
4.8
|
37.1
|
1.0
|
C
|
C:HIS108
|
5.0
|
26.4
|
1.0
|
O
|
C:HOH771
|
5.0
|
32.9
|
1.0
|
C1
|
C:KEU710
|
5.0
|
43.2
|
1.0
|
C
|
C:ILE107
|
5.0
|
28.4
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 1rbq
Go back to
Fluorine Binding Sites List in 1rbq
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
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 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F810
b:36.3
occ:1.00
|
F2
|
D:KEU810
|
0.0
|
36.3
|
1.0
|
C6
|
D:KEU810
|
1.4
|
37.9
|
1.0
|
F1
|
D:KEU810
|
2.1
|
37.1
|
1.0
|
F
|
D:KEU810
|
2.2
|
40.2
|
1.0
|
C5
|
D:KEU810
|
2.5
|
39.2
|
1.0
|
OA1
|
D:KEU810
|
2.7
|
38.9
|
1.0
|
C10
|
D:KEU810
|
3.1
|
39.4
|
1.0
|
C11
|
D:KEU810
|
3.2
|
40.0
|
1.0
|
CE
|
D:MET89
|
3.3
|
46.0
|
1.0
|
C16
|
D:KEU810
|
3.3
|
41.0
|
1.0
|
CB
|
D:SER118
|
3.6
|
37.8
|
1.0
|
OA2
|
D:KEU810
|
3.6
|
37.0
|
1.0
|
CA
|
D:SER118
|
3.6
|
37.0
|
1.0
|
SD
|
D:MET89
|
3.6
|
45.6
|
1.0
|
C12
|
D:KEU810
|
4.0
|
41.1
|
1.0
|
C15
|
D:KEU810
|
4.2
|
42.9
|
1.0
|
O
|
D:HOH830
|
4.3
|
35.4
|
1.0
|
N
|
D:SER118
|
4.4
|
37.0
|
1.0
|
O
|
D:HOH891
|
4.5
|
48.5
|
1.0
|
C1
|
D:KEU810
|
4.6
|
41.4
|
1.0
|
C
|
D:SER118
|
4.6
|
37.0
|
1.0
|
O
|
D:GLY117
|
4.6
|
34.9
|
1.0
|
O
|
D:SER118
|
4.7
|
37.3
|
1.0
|
C
|
D:GLY117
|
4.7
|
35.9
|
1.0
|
C13
|
D:KEU810
|
4.8
|
42.2
|
1.0
|
C14
|
D:KEU810
|
4.9
|
43.3
|
1.0
|
OG
|
D:SER118
|
4.9
|
39.5
|
1.0
|
ND1
|
D:HIS108
|
5.0
|
28.4
|
1.0
|
|
Reference:
Y.Zhang,
J.Desharnais,
D.L.Boger,
I.A.Wilson.
Human Gar Tfase Complex Structure with Polyglutamated 10-(Trifluoroacetyl)-5,10-Dideazaacyclic-5,6,7,8- Tetrahydrofolic Acid To Be Published.
Page generated: Wed Jul 31 12:36:18 2024
|