Fluorine in PDB 7kvu: Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
Protein crystallography data
The structure of Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T, PDB code: 7kvu
was solved by
L.Truong,
A.R.Ferre-D'amare,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.46 /
2.68
|
Space group
|
P 42 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
103.731,
103.731,
51.959,
90,
90,
90
|
R / Rfree (%)
|
20.9 /
24.7
|
Other elements in 7kvu:
The structure of Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
(pdb code 7kvu). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the
Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T, PDB code: 7kvu:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
Fluorine binding site 1 out
of 5 in 7kvu
Go back to
Fluorine Binding Sites List in 7kvu
Fluorine binding site 1 out
of 5 in the Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
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 Squash Rna Aptamer in Complex with Dfhbi-1T within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F106
b:62.0
occ:1.00
|
F8
|
G:2ZY106
|
0.0
|
62.0
|
1.0
|
C6
|
G:2ZY106
|
1.4
|
62.1
|
1.0
|
C5
|
G:2ZY106
|
2.4
|
61.1
|
1.0
|
C1
|
G:2ZY106
|
2.4
|
61.3
|
1.0
|
O9
|
G:2ZY106
|
2.8
|
61.0
|
1.0
|
C8
|
G:A69
|
3.0
|
60.1
|
1.0
|
C2
|
G:A70
|
3.1
|
57.3
|
1.0
|
N1
|
G:A70
|
3.1
|
60.5
|
1.0
|
N7
|
G:A69
|
3.1
|
60.8
|
1.0
|
N9
|
G:A69
|
3.4
|
57.0
|
1.0
|
O2'
|
G:A69
|
3.4
|
64.8
|
1.0
|
C6
|
G:A70
|
3.4
|
57.6
|
1.0
|
N3
|
G:A70
|
3.4
|
59.8
|
1.0
|
C5
|
G:A69
|
3.5
|
55.3
|
1.0
|
C4
|
G:2ZY106
|
3.6
|
62.4
|
1.0
|
C4
|
G:A69
|
3.6
|
56.9
|
1.0
|
C2
|
G:2ZY106
|
3.6
|
62.9
|
1.0
|
C4
|
G:A70
|
3.7
|
55.9
|
1.0
|
C5
|
G:A70
|
3.7
|
54.3
|
1.0
|
N3
|
G:U15
|
3.9
|
59.1
|
1.0
|
C2'
|
G:A69
|
4.0
|
60.3
|
1.0
|
C3
|
G:2ZY106
|
4.1
|
62.8
|
1.0
|
N6
|
G:A70
|
4.1
|
53.9
|
1.0
|
C1'
|
G:A69
|
4.1
|
56.9
|
1.0
|
O4
|
G:U15
|
4.2
|
63.4
|
1.0
|
C6
|
G:A69
|
4.3
|
58.2
|
1.0
|
C4
|
G:U15
|
4.3
|
63.4
|
1.0
|
N3
|
G:A69
|
4.5
|
58.6
|
1.0
|
N2
|
G:G13
|
4.5
|
62.2
|
1.0
|
N9
|
G:A70
|
4.6
|
55.0
|
1.0
|
O2'
|
G:A70
|
4.6
|
58.7
|
1.0
|
N7
|
G:A70
|
4.6
|
57.4
|
1.0
|
C2
|
G:U15
|
4.7
|
65.5
|
1.0
|
F7
|
G:2ZY106
|
4.7
|
66.0
|
1.0
|
O2
|
G:U15
|
4.8
|
67.6
|
1.0
|
N6
|
G:A69
|
4.8
|
61.4
|
1.0
|
O
|
G:HOH201
|
4.9
|
62.7
|
1.0
|
C10
|
G:2ZY106
|
4.9
|
64.6
|
1.0
|
N12
|
G:2ZY106
|
5.0
|
65.5
|
1.0
|
|
Fluorine binding site 2 out
of 5 in 7kvu
Go back to
Fluorine Binding Sites List in 7kvu
Fluorine binding site 2 out
of 5 in the Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
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 Squash Rna Aptamer in Complex with Dfhbi-1T within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F106
b:66.0
occ:1.00
|
F7
|
G:2ZY106
|
0.0
|
66.0
|
1.0
|
C4
|
G:2ZY106
|
1.4
|
62.4
|
1.0
|
C5
|
G:2ZY106
|
2.4
|
61.1
|
1.0
|
C3
|
G:2ZY106
|
2.4
|
62.8
|
1.0
|
O
|
G:HOH201
|
2.7
|
62.7
|
1.0
|
O9
|
G:2ZY106
|
2.7
|
61.0
|
1.0
|
N1
|
G:G13
|
3.0
|
64.7
|
1.0
|
C2
|
G:G13
|
3.3
|
64.9
|
1.0
|
N3
|
G:G14
|
3.3
|
71.4
|
1.0
|
C6
|
G:G13
|
3.5
|
66.5
|
1.0
|
N2
|
G:G13
|
3.6
|
62.2
|
1.0
|
C6
|
G:2ZY106
|
3.6
|
62.1
|
1.0
|
C2
|
G:2ZY106
|
3.7
|
62.9
|
1.0
|
O2'
|
G:A70
|
3.7
|
58.7
|
1.0
|
C2
|
G:G14
|
3.7
|
83.2
|
1.0
|
N2
|
G:G14
|
3.8
|
86.0
|
1.0
|
N3
|
G:G13
|
3.8
|
67.3
|
1.0
|
C5
|
G:G13
|
4.0
|
68.0
|
1.0
|
O6
|
G:G13
|
4.0
|
68.0
|
1.0
|
C4
|
G:G14
|
4.0
|
72.7
|
1.0
|
C4
|
G:G13
|
4.1
|
68.9
|
1.0
|
C1
|
G:2ZY106
|
4.2
|
61.3
|
1.0
|
C1'
|
G:G14
|
4.4
|
70.1
|
1.0
|
N9
|
G:G14
|
4.4
|
73.6
|
1.0
|
O4
|
G:U15
|
4.5
|
63.4
|
1.0
|
O4'
|
G:G14
|
4.6
|
74.3
|
1.0
|
N1
|
G:G14
|
4.7
|
73.4
|
1.0
|
F8
|
G:2ZY106
|
4.7
|
62.0
|
1.0
|
C10
|
G:2ZY106
|
4.9
|
64.6
|
1.0
|
C4
|
G:U15
|
4.9
|
63.4
|
1.0
|
N7
|
G:G13
|
4.9
|
72.3
|
1.0
|
C5
|
G:G14
|
5.0
|
72.2
|
1.0
|
C2'
|
G:A70
|
5.0
|
59.7
|
1.0
|
|
Fluorine binding site 3 out
of 5 in 7kvu
Go back to
Fluorine Binding Sites List in 7kvu
Fluorine binding site 3 out
of 5 in the Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
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 Squash Rna Aptamer in Complex with Dfhbi-1T within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F106
b:72.5
occ:1.00
|
F20
|
G:2ZY106
|
0.0
|
72.5
|
1.0
|
C19
|
G:2ZY106
|
1.4
|
75.0
|
1.0
|
F21
|
G:2ZY106
|
2.3
|
76.4
|
1.0
|
F22
|
G:2ZY106
|
2.3
|
74.1
|
1.0
|
C16
|
G:2ZY106
|
2.3
|
76.8
|
1.0
|
N14
|
G:2ZY106
|
2.7
|
68.9
|
1.0
|
O18
|
G:2ZY106
|
2.9
|
75.2
|
1.0
|
C15
|
G:2ZY106
|
3.0
|
69.0
|
1.0
|
O4'
|
G:U15
|
3.1
|
72.2
|
1.0
|
C4'
|
G:U15
|
3.3
|
71.3
|
1.0
|
C13
|
G:2ZY106
|
3.7
|
66.7
|
1.0
|
C1'
|
G:U15
|
3.8
|
69.4
|
1.0
|
O2'
|
G:U15
|
3.8
|
70.0
|
1.0
|
C5'
|
G:U15
|
4.1
|
69.8
|
1.0
|
C11
|
G:2ZY106
|
4.1
|
65.6
|
1.0
|
C2'
|
G:U15
|
4.3
|
71.2
|
1.0
|
C3'
|
G:U15
|
4.4
|
72.9
|
1.0
|
N12
|
G:2ZY106
|
4.5
|
65.5
|
1.0
|
C17
|
G:2ZY106
|
4.5
|
67.6
|
1.0
|
O2'
|
G:U39
|
4.7
|
76.4
|
1.0
|
N6
|
G:A48
|
4.9
|
74.5
|
1.0
|
C10
|
G:2ZY106
|
5.0
|
64.6
|
1.0
|
|
Fluorine binding site 4 out
of 5 in 7kvu
Go back to
Fluorine Binding Sites List in 7kvu
Fluorine binding site 4 out
of 5 in the Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
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 Squash Rna Aptamer in Complex with Dfhbi-1T within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F106
b:76.4
occ:1.00
|
F21
|
G:2ZY106
|
0.0
|
76.4
|
1.0
|
C19
|
G:2ZY106
|
1.4
|
75.0
|
1.0
|
F22
|
G:2ZY106
|
2.2
|
74.1
|
1.0
|
F20
|
G:2ZY106
|
2.3
|
72.5
|
1.0
|
C16
|
G:2ZY106
|
2.4
|
76.8
|
1.0
|
O2'
|
G:U39
|
2.9
|
76.4
|
1.0
|
N14
|
G:2ZY106
|
3.6
|
68.9
|
1.0
|
O2
|
G:U39
|
3.7
|
76.6
|
1.0
|
C2'
|
G:U39
|
3.9
|
81.4
|
1.0
|
C1'
|
G:U39
|
4.0
|
82.9
|
1.0
|
C15
|
G:2ZY106
|
4.5
|
69.0
|
1.0
|
C13
|
G:2ZY106
|
4.5
|
66.7
|
1.0
|
O18
|
G:2ZY106
|
4.5
|
75.2
|
1.0
|
N6
|
G:A48
|
4.6
|
74.5
|
1.0
|
C17
|
G:2ZY106
|
4.6
|
67.6
|
1.0
|
C2
|
G:U39
|
4.7
|
76.5
|
1.0
|
O2'
|
G:U15
|
4.9
|
70.0
|
1.0
|
O4'
|
G:A40
|
4.9
|
69.6
|
1.0
|
O4'
|
G:U39
|
4.9
|
92.4
|
1.0
|
N1
|
G:U39
|
4.9
|
78.9
|
1.0
|
|
Fluorine binding site 5 out
of 5 in 7kvu
Go back to
Fluorine Binding Sites List in 7kvu
Fluorine binding site 5 out
of 5 in the Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
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 Squash Rna Aptamer in Complex with Dfhbi-1T within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F106
b:74.1
occ:1.00
|
F22
|
G:2ZY106
|
0.0
|
74.1
|
1.0
|
C19
|
G:2ZY106
|
1.4
|
75.0
|
1.0
|
F21
|
G:2ZY106
|
2.2
|
76.4
|
1.0
|
F20
|
G:2ZY106
|
2.3
|
72.5
|
1.0
|
C16
|
G:2ZY106
|
2.3
|
76.8
|
1.0
|
N14
|
G:2ZY106
|
2.8
|
68.9
|
1.0
|
N6
|
G:A48
|
2.8
|
74.5
|
1.0
|
O2'
|
G:U15
|
3.0
|
70.0
|
1.0
|
C17
|
G:2ZY106
|
3.1
|
67.6
|
1.0
|
C13
|
G:2ZY106
|
3.1
|
66.7
|
1.0
|
O2
|
G:U39
|
3.3
|
76.6
|
1.0
|
C6
|
G:A48
|
3.7
|
72.8
|
1.0
|
C15
|
G:2ZY106
|
3.8
|
69.0
|
1.0
|
C1'
|
G:U15
|
4.0
|
69.4
|
1.0
|
O4'
|
G:U15
|
4.1
|
72.2
|
1.0
|
C2'
|
G:U15
|
4.1
|
71.2
|
1.0
|
N1
|
G:A48
|
4.1
|
73.9
|
1.0
|
N12
|
G:2ZY106
|
4.2
|
65.5
|
1.0
|
O18
|
G:2ZY106
|
4.3
|
75.2
|
1.0
|
C4'
|
G:U15
|
4.3
|
71.3
|
1.0
|
O2'
|
G:U39
|
4.3
|
76.4
|
1.0
|
C11
|
G:2ZY106
|
4.5
|
65.6
|
1.0
|
C2
|
G:U39
|
4.5
|
76.5
|
1.0
|
C5
|
G:A48
|
4.8
|
72.4
|
1.0
|
C3'
|
G:U15
|
4.8
|
72.9
|
1.0
|
C1'
|
G:U39
|
5.0
|
82.9
|
1.0
|
|
Reference:
L.Truong,
H.Kooshapur,
S.K.Dey,
X.Li,
N.Tjandra,
S.R.Jaffrey,
A.R.Ferre-D'amare.
The Fluorescent Aptamer Squash Extensively Repurposes the Adenine Riboswitch Fold. Nat.Chem.Biol. V. 18 191 2022.
ISSN: ESSN 1552-4469
PubMed: 34937911
DOI: 10.1038/S41589-021-00931-2
Page generated: Fri Aug 2 08:31:32 2024
|