Fluorine in PDB 8qe4: Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions (pdb code 8qe4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions, PDB code: 8qe4:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8qe4

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Fluorine binding site 1 out of 6 in the Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2

b:0.0
occ:1.00
F A:GF22 0.0 0.0 1.0
C2' A:GF22 1.4 0.0 1.0
H2' A:GF22 2.0 0.0 1.0
H1' A:GF22 2.3 0.0 1.0
C1' A:GF22 2.4 0.0 1.0
C3' A:GF22 2.4 0.0 1.0
O3' A:GF22 2.7 0.0 1.0
C4' A:GF22 3.2 0.0 1.0
O4' A:GF22 3.3 0.0 1.0
H3' A:GF22 3.3 0.0 1.0
H4' A:GF22 3.3 0.0 1.0
N9 A:GF22 3.5 0.0 1.0
O5' A:DC3 3.6 0.0 1.0
P A:DC3 3.9 0.0 1.0
C4 A:GF22 4.4 0.0 1.0
C8 A:GF22 4.4 0.0 1.0
H8 A:GF22 4.4 0.0 1.0
H6 A:DC3 4.5 0.0 1.0
OP1 A:DC3 4.5 0.0 1.0
N3 A:GF22 4.5 0.0 1.0
H5' A:DC3 4.6 0.0 1.0
C5' A:GF22 4.7 0.0 1.0
C5' A:DC3 4.7 0.0 1.0
OP2 A:DC3 4.9 0.0 1.0
H5'A A:GF22 5.0 0.0 1.0

Fluorine binding site 2 out of 6 in 8qe4

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Fluorine binding site 2 out of 6 in the Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F4

b:0.0
occ:1.00
F A:GF24 0.0 0.0 1.0
C2' A:GF24 1.4 0.0 1.0
H2' A:GF24 2.0 0.0 1.0
H1' A:GF24 2.3 0.0 1.0
C1' A:GF24 2.4 0.0 1.0
C3' A:GF24 2.4 0.0 1.0
O3' A:GF24 2.6 0.0 1.0
O4' A:GF24 3.3 0.0 1.0
H3' A:GF24 3.3 0.0 1.0
C4' A:GF24 3.3 0.0 1.0
H4' A:GF24 3.4 0.0 1.0
N9 A:GF24 3.5 0.0 1.0
H5' A:DC5 3.8 0.0 1.0
H5'' A:DC5 4.2 0.0 1.0
P A:DC5 4.2 0.0 1.0
C4 A:GF24 4.3 0.0 1.0
C8 A:GF24 4.4 0.0 1.0
C5' A:DC5 4.4 0.0 1.0
H8 A:GF24 4.4 0.0 1.0
N3 A:GF24 4.5 0.0 1.0
H6 A:DC5 4.5 0.0 1.0
O5' A:DC5 4.7 0.0 1.0
H5 A:DC5 4.7 0.0 1.0
OP1 A:DC5 4.7 0.0 1.0
C5' A:GF24 4.7 0.0 1.0
N7 A:GF26 4.8 0.0 1.0
H5'A A:GF24 4.9 0.0 1.0

Fluorine binding site 3 out of 6 in 8qe4

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Fluorine binding site 3 out of 6 in the Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F6

b:0.0
occ:1.00
F A:GF26 0.0 0.0 1.0
C2' A:GF26 1.4 0.0 1.0
H2' A:GF26 2.0 0.0 1.0
HO3' A:GF26 2.3 0.0 1.0
C1' A:GF26 2.4 0.0 1.0
C3' A:GF26 2.4 0.0 1.0
H1' A:GF26 2.6 0.0 1.0
N3 A:GF26 2.7 0.0 1.0
O3' A:GF26 2.7 0.0 1.0
H3' A:GF26 2.9 0.0 1.0
N9 A:GF26 3.0 0.0 1.0
C4 A:GF26 3.1 0.0 1.0
O4' A:GF26 3.5 0.0 1.0
C4' A:GF26 3.6 0.0 1.0
HN2A A:GF26 3.8 0.0 1.0
C2 A:GF26 3.8 0.0 1.0
N2 A:GF26 4.2 0.0 1.0
H4' A:GF26 4.2 0.0 1.0
C8 A:GF26 4.3 0.0 1.0
O4' A:DC5 4.3 0.0 1.0
C5 A:GF26 4.4 0.0 1.0
O5' A:GF26 4.4 0.0 1.0
H1' A:DC5 4.6 0.0 1.0
C5' A:GF26 4.7 0.0 1.0
H8 A:GF26 4.8 0.0 1.0
N1 A:GF26 4.9 0.0 1.0
H4' A:DC5 4.9 0.0 1.0
C1' A:DC5 5.0 0.0 1.0

Fluorine binding site 4 out of 6 in 8qe4

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Fluorine binding site 4 out of 6 in the Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F8

b:0.0
occ:1.00
F B:GF28 0.0 0.0 1.0
C2' B:GF28 1.4 0.0 1.0
H2' B:GF28 2.0 0.0 1.0
H1' B:GF28 2.3 0.0 1.0
C1' B:GF28 2.4 0.0 1.0
C3' B:GF28 2.4 0.0 1.0
O3' B:GF28 2.7 0.0 1.0
C4' B:GF28 3.2 0.0 1.0
O4' B:GF28 3.3 0.0 1.0
H4' B:GF28 3.3 0.0 1.0
H3' B:GF28 3.3 0.0 1.0
N9 B:GF28 3.5 0.0 1.0
O5' B:DC9 3.8 0.0 1.0
P B:DC9 3.9 0.0 1.0
H6 B:DC9 4.2 0.0 1.0
C4 B:GF28 4.4 0.0 1.0
C8 B:GF28 4.4 0.0 1.0
H8 B:GF28 4.4 0.0 1.0
N3 B:GF28 4.6 0.0 1.0
OP1 B:DC9 4.6 0.0 1.0
C5' B:GF28 4.7 0.0 1.0
H5' B:DC9 4.8 0.0 1.0
C5' B:DC9 4.9 0.0 1.0
H5'A B:GF28 5.0 0.0 1.0
OP2 B:DC9 5.0 0.0 1.0

Fluorine binding site 5 out of 6 in 8qe4

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Fluorine binding site 5 out of 6 in the Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F10

b:0.0
occ:1.00
F B:GF210 0.0 0.0 1.0
C2' B:GF210 1.4 0.0 1.0
H2' B:GF210 2.0 0.0 1.0
H1' B:GF210 2.4 0.0 1.0
C1' B:GF210 2.4 0.0 1.0
C3' B:GF210 2.4 0.0 1.0
O3' B:GF210 2.7 0.0 1.0
C4' B:GF210 3.2 0.0 1.0
O4' B:GF210 3.2 0.0 1.0
H4' B:GF210 3.2 0.0 1.0
H3' B:GF210 3.3 0.0 1.0
H5'' B:DC11 3.5 0.0 1.0
N9 B:GF210 3.5 0.0 1.0
H5' B:DC11 3.9 0.0 1.0
C5' B:DC11 4.1 0.0 1.0
P B:DC11 4.2 0.0 1.0
N7 B:GF212 4.3 0.0 1.0
O5' B:DC11 4.4 0.0 1.0
C4 B:GF210 4.4 0.0 1.0
C8 B:GF210 4.5 0.0 1.0
H8 B:GF212 4.5 0.0 1.0
N3 B:GF210 4.5 0.0 1.0
H8 B:GF210 4.5 0.0 1.0
C5' B:GF210 4.6 0.0 1.0
C8 B:GF212 4.6 0.0 1.0
H6 B:DC11 4.7 0.0 1.0
H5'A B:GF210 5.0 0.0 1.0

Fluorine binding site 6 out of 6 in 8qe4

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Fluorine binding site 6 out of 6 in the Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F12

b:0.0
occ:1.00
F B:GF212 0.0 0.0 1.0
C2' B:GF212 1.4 0.0 1.0
H2' B:GF212 2.0 0.0 1.0
C1' B:GF212 2.4 0.0 1.0
C3' B:GF212 2.5 0.0 1.0
HO3' B:GF212 2.5 0.0 1.0
H1' B:GF212 2.5 0.0 1.0
O3' B:GF212 2.8 0.0 1.0
N3 B:GF212 2.9 0.0 1.0
N9 B:GF212 2.9 0.0 1.0
H3' B:GF212 2.9 0.0 1.0
C4 B:GF212 3.1 0.0 1.0
O4' B:GF212 3.5 0.0 1.0
C4' B:GF212 3.6 0.0 1.0
C2 B:GF212 3.9 0.0 1.0
C8 B:GF212 4.1 0.0 1.0
H5'A B:GF212 4.1 0.0 1.0
HN2A B:GF212 4.1 0.0 1.0
C5 B:GF212 4.2 0.0 1.0
H4' B:GF212 4.4 0.0 1.0
C5' B:GF212 4.4 0.0 1.0
N2 B:GF212 4.4 0.0 1.0
H8 B:GF212 4.6 0.0 1.0
N7 B:GF212 4.8 0.0 1.0
O4' B:DC11 4.8 0.0 1.0
N1 B:GF212 4.9 0.0 1.0
H5' B:GF212 4.9 0.0 1.0

Reference:

R.El-Khoury, C.Cabrero, S.Movilla, H.Kaur, D.Friedland, A.Dominguez, J.D.Thorpe, M.Roman, M.Orozco, C.Gonzalez, M.J.Damha. Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions. Nucleic Acids Res. 2024.
ISSN: ESSN 1362-4962
PubMed: 38874502
DOI: 10.1093/NAR/GKAE508
Page generated: Fri Aug 2 22:25:51 2024

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