Fluorine in PDB 8izy: Human KCNQ2-Cam in Complex with HN37

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human KCNQ2-Cam in Complex with HN37 (pdb code 8izy). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Human KCNQ2-Cam in Complex with HN37, PDB code: 8izy:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 8izy

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Fluorine binding site 1 out of 8 in the Human KCNQ2-Cam in Complex with HN37


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human KCNQ2-Cam in Complex with HN37 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:59.2
occ:1.00
F25 A:9MF801 0.0 59.2 1.0
C22 A:9MF801 1.4 52.6 1.0
C23 A:9MF801 2.4 46.6 1.0
C21 A:9MF801 2.4 49.2 1.0
H231 A:9MF801 2.6 43.5 1.0
H211 A:9MF801 2.6 43.7 1.0
HE1 D:PHE104 2.8 60.9 1.0
CE1 D:PHE104 3.1 63.5 1.0
CZ D:PHE104 3.6 58.9 1.0
C24 A:9MF801 3.6 48.4 1.0
HZ D:PHE100 3.6 74.7 1.0
C20 A:9MF801 3.6 43.0 1.0
HZ D:PHE104 3.7 60.0 1.0
CD1 D:PHE104 3.7 61.8 1.0
HE1 A:PHE240 3.7 43.5 1.0
H231 D:9MF801 3.8 74.5 1.0
HD1 D:PHE104 3.8 60.2 1.0
HD1 A:PHE240 3.9 44.1 1.0
H241 D:9MF801 4.1 76.4 1.0
C19 A:9MF801 4.1 36.4 1.0
CE1 A:PHE240 4.2 46.4 1.0
CD1 A:PHE240 4.3 45.8 1.0
H241 A:9MF801 4.4 43.6 1.0
H201 A:9MF801 4.4 43.5 1.0
C23 D:9MF801 4.5 74.1 1.0
CZ D:PHE100 4.5 76.9 1.0
CE2 D:PHE104 4.6 58.8 1.0
CG D:PHE104 4.6 59.4 1.0
C24 D:9MF801 4.7 77.6 1.0
CD2 D:PHE104 5.0 59.6 1.0

Fluorine binding site 2 out of 8 in 8izy

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Fluorine binding site 2 out of 8 in the Human KCNQ2-Cam in Complex with HN37


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human KCNQ2-Cam in Complex with HN37 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F802

b:59.6
occ:1.00
F25 A:9MF802 0.0 59.6 1.0
C22 A:9MF802 1.4 52.3 1.0
C23 A:9MF802 2.4 46.2 1.0
C21 A:9MF802 2.4 48.5 1.0
H231 A:9MF802 2.6 43.0 1.0
H211 A:9MF802 2.6 43.1 1.0
HE1 C:PHE104 2.8 60.1 1.0
CE1 C:PHE104 3.1 62.9 1.0
CZ C:PHE104 3.6 58.8 1.0
C24 A:9MF802 3.6 47.8 1.0
HZ C:PHE100 3.6 74.2 1.0
C20 A:9MF802 3.6 41.9 1.0
CD1 C:PHE104 3.7 61.0 1.0
HZ C:PHE104 3.7 59.5 1.0
HE1 D:PHE240 3.7 42.4 1.0
H231 C:9MF801 3.8 73.6 1.0
HD1 C:PHE104 3.8 59.5 1.0
HD1 D:PHE240 3.9 43.3 1.0
H241 C:9MF801 4.1 75.5 1.0
C19 A:9MF802 4.1 35.3 1.0
CE1 D:PHE240 4.2 46.0 1.0
CD1 D:PHE240 4.3 44.7 1.0
H241 A:9MF802 4.4 43.0 1.0
H201 A:9MF802 4.4 42.8 1.0
C23 C:9MF801 4.5 73.3 1.0
CZ C:PHE100 4.5 76.5 1.0
CE2 C:PHE104 4.6 58.8 1.0
CG C:PHE104 4.6 58.8 1.0
C24 C:9MF801 4.7 76.6 1.0
CD2 C:PHE104 5.0 59.1 1.0

Fluorine binding site 3 out of 8 in 8izy

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Fluorine binding site 3 out of 8 in the Human KCNQ2-Cam in Complex with HN37


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human KCNQ2-Cam in Complex with HN37 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F803

b:86.5
occ:1.00
F25 A:9MF803 0.0 86.5 1.0
C22 A:9MF803 1.4 79.2 1.0
C23 A:9MF803 2.4 75.2 1.0
C21 A:9MF803 2.4 73.9 1.0
H211 A:9MF803 2.6 75.6 1.0
H231 A:9MF803 2.6 75.3 1.0
H132 B:9MF802 2.6 42.2 1.0
H051 B:9MF802 3.0 41.5 1.0
C13 B:9MF802 3.5 40.8 1.0
C24 A:9MF803 3.6 78.3 1.0
C20 A:9MF803 3.6 72.2 1.0
C05 B:9MF802 3.7 38.6 1.0
H181 B:9MF802 3.8 42.6 1.0
H133 B:9MF802 4.0 42.9 1.0
H131 B:9MF802 4.0 42.0 1.0
H201 B:9MF802 4.1 43.2 1.0
C06 B:9MF802 4.1 42.4 1.0
C19 A:9MF803 4.1 76.9 1.0
C20 B:9MF802 4.1 42.8 1.0
C19 B:9MF802 4.3 35.7 1.0
H241 A:9MF803 4.4 77.1 1.0
H201 A:9MF803 4.4 76.9 1.0
CD2 B:TRP236 4.4 40.0 1.0
CE3 B:TRP236 4.5 48.0 1.0
C18 B:9MF802 4.5 38.7 1.0
CE2 B:TRP236 4.6 41.2 1.0
C21 B:9MF802 4.7 49.3 1.0
HE3 B:TRP236 4.7 41.5 1.0
CZ3 B:TRP236 4.7 49.0 1.0
HB3 B:TRP236 4.8 39.8 1.0
CG B:TRP236 4.8 29.2 1.0
C04 B:9MF802 4.9 42.4 1.0
H211 B:9MF802 4.9 43.4 1.0
CZ2 B:TRP236 4.9 42.0 1.0
C24 B:9MF802 4.9 47.8 1.0
CH2 B:TRP236 4.9 45.6 1.0

Fluorine binding site 4 out of 8 in 8izy

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Fluorine binding site 4 out of 8 in the Human KCNQ2-Cam in Complex with HN37


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human KCNQ2-Cam in Complex with HN37 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:85.9
occ:1.00
F25 B:9MF801 0.0 85.9 1.0
C22 B:9MF801 1.4 78.4 1.0
C23 B:9MF801 2.4 74.8 1.0
C21 B:9MF801 2.4 73.1 1.0
H211 B:9MF801 2.6 75.0 1.0
H231 B:9MF801 2.6 74.8 1.0
H132 C:9MF802 2.6 42.2 1.0
H051 C:9MF802 3.0 41.6 1.0
C13 C:9MF802 3.5 40.3 1.0
C24 B:9MF801 3.6 78.0 1.0
C20 B:9MF801 3.6 71.5 1.0
C05 C:9MF802 3.7 38.8 1.0
H181 C:9MF802 3.8 42.7 1.0
H133 C:9MF802 4.0 42.8 1.0
H131 C:9MF802 4.0 42.1 1.0
H201 C:9MF802 4.1 43.2 1.0
C06 C:9MF802 4.1 42.4 1.0
C19 B:9MF801 4.1 76.3 1.0
C20 C:9MF802 4.1 42.3 1.0
C19 C:9MF802 4.3 35.9 1.0
H241 B:9MF801 4.4 76.6 1.0
H201 B:9MF801 4.4 76.3 1.0
CD2 C:TRP236 4.4 39.6 1.0
CE3 C:TRP236 4.5 47.8 1.0
C18 C:9MF802 4.5 39.1 1.0
CE2 C:TRP236 4.6 41.3 1.0
C21 C:9MF802 4.7 48.9 1.0
HE3 C:TRP236 4.7 41.3 1.0
CZ3 C:TRP236 4.7 48.6 1.0
HB3 C:TRP236 4.8 39.5 1.0
CG C:TRP236 4.8 28.5 1.0
C04 C:9MF802 4.9 42.1 1.0
H211 C:9MF802 4.9 43.5 1.0
CZ2 C:TRP236 4.9 42.0 1.0
C24 C:9MF802 4.9 48.2 1.0
CH2 C:TRP236 5.0 45.0 1.0

Fluorine binding site 5 out of 8 in 8izy

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Fluorine binding site 5 out of 8 in the Human KCNQ2-Cam in Complex with HN37


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human KCNQ2-Cam in Complex with HN37 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F802

b:59.4
occ:1.00
F25 B:9MF802 0.0 59.4 1.0
C22 B:9MF802 1.4 52.9 1.0
C23 B:9MF802 2.4 46.3 1.0
C21 B:9MF802 2.4 49.3 1.0
H231 B:9MF802 2.6 43.2 1.0
H211 B:9MF802 2.6 43.4 1.0
HE1 A:PHE104 2.8 60.3 1.0
CE1 A:PHE104 3.1 62.9 1.0
CZ A:PHE104 3.6 58.2 1.0
C24 B:9MF802 3.6 47.8 1.0
C20 B:9MF802 3.6 42.8 1.0
HZ A:PHE100 3.6 74.2 1.0
HZ A:PHE104 3.7 59.4 1.0
CD1 A:PHE104 3.7 60.8 1.0
HE1 B:PHE240 3.7 43.5 1.0
H231 A:9MF803 3.8 75.3 1.0
HD1 A:PHE104 3.8 59.5 1.0
HD1 B:PHE240 3.9 44.1 1.0
H241 A:9MF803 4.1 77.1 1.0
C19 B:9MF802 4.1 35.7 1.0
CE1 B:PHE240 4.2 46.0 1.0
CD1 B:PHE240 4.3 45.7 1.0
H241 B:9MF802 4.4 43.4 1.0
H201 B:9MF802 4.4 43.2 1.0
C23 A:9MF803 4.5 75.2 1.0
CZ A:PHE100 4.6 76.3 1.0
CE2 A:PHE104 4.6 58.2 1.0
CG A:PHE104 4.6 58.9 1.0
C24 A:9MF803 4.7 78.3 1.0
CD2 A:PHE104 5.0 59.0 1.0

Fluorine binding site 6 out of 8 in 8izy

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Fluorine binding site 6 out of 8 in the Human KCNQ2-Cam in Complex with HN37


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human KCNQ2-Cam in Complex with HN37 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F801

b:85.4
occ:1.00
F25 C:9MF801 0.0 85.4 1.0
C22 C:9MF801 1.4 77.3 1.0
C23 C:9MF801 2.4 73.3 1.0
C21 C:9MF801 2.4 71.8 1.0
H211 C:9MF801 2.6 73.9 1.0
H231 C:9MF801 2.6 73.6 1.0
H132 A:9MF802 2.6 41.8 1.0
H051 A:9MF802 3.0 41.2 1.0
C13 A:9MF802 3.5 39.5 1.0
C24 C:9MF801 3.6 76.6 1.0
C20 C:9MF801 3.6 70.8 1.0
C05 A:9MF802 3.7 38.4 1.0
H181 A:9MF802 3.8 42.3 1.0
H133 A:9MF802 4.0 42.4 1.0
H131 A:9MF802 4.0 41.6 1.0
H201 A:9MF802 4.1 42.8 1.0
C06 A:9MF802 4.1 41.6 1.0
C19 C:9MF801 4.1 75.7 1.0
C20 A:9MF802 4.1 41.9 1.0
C19 A:9MF802 4.3 35.3 1.0
H241 C:9MF801 4.4 75.5 1.0
H201 C:9MF801 4.4 75.3 1.0
CD2 D:TRP236 4.4 39.0 1.0
CE3 D:TRP236 4.5 47.8 1.0
C18 A:9MF802 4.5 38.5 1.0
CE2 D:TRP236 4.6 40.9 1.0
C21 A:9MF802 4.7 48.5 1.0
HE3 D:TRP236 4.7 41.2 1.0
CZ3 D:TRP236 4.7 49.1 1.0
HB3 D:TRP236 4.8 39.3 1.0
CG D:TRP236 4.8 27.6 1.0
C04 A:9MF802 4.9 41.9 1.0
CZ2 D:TRP236 4.9 41.6 1.0
H211 A:9MF802 4.9 43.1 1.0
C24 A:9MF802 4.9 47.8 1.0
CH2 D:TRP236 4.9 45.4 1.0

Fluorine binding site 7 out of 8 in 8izy

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Fluorine binding site 7 out of 8 in the Human KCNQ2-Cam in Complex with HN37


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human KCNQ2-Cam in Complex with HN37 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F802

b:59.8
occ:1.00
F25 C:9MF802 0.0 59.8 1.0
C22 C:9MF802 1.4 52.7 1.0
C23 C:9MF802 2.4 46.4 1.0
C21 C:9MF802 2.4 48.9 1.0
H231 C:9MF802 2.6 43.3 1.0
H211 C:9MF802 2.6 43.5 1.0
HE1 B:PHE104 2.8 60.5 1.0
CE1 B:PHE104 3.1 63.2 1.0
CZ B:PHE104 3.6 58.8 1.0
C24 C:9MF802 3.6 48.2 1.0
C20 C:9MF802 3.6 42.3 1.0
HZ B:PHE100 3.6 74.0 1.0
CD1 B:PHE104 3.7 61.1 1.0
HZ B:PHE104 3.7 59.6 1.0
HE1 C:PHE240 3.7 43.5 1.0
H231 B:9MF801 3.8 74.8 1.0
HD1 B:PHE104 3.8 59.8 1.0
HD1 C:PHE240 3.9 44.1 1.0
H241 B:9MF801 4.1 76.6 1.0
C19 C:9MF802 4.1 35.9 1.0
CE1 C:PHE240 4.2 46.7 1.0
CD1 C:PHE240 4.3 46.1 1.0
H241 C:9MF802 4.4 43.5 1.0
H201 C:9MF802 4.4 43.2 1.0
C23 B:9MF801 4.5 74.8 1.0
CZ B:PHE100 4.6 76.0 1.0
CE2 B:PHE104 4.6 58.9 1.0
CG B:PHE104 4.6 58.8 1.0
C24 B:9MF801 4.7 78.0 1.0
CD2 B:PHE104 5.0 59.0 1.0

Fluorine binding site 8 out of 8 in 8izy

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Fluorine binding site 8 out of 8 in the Human KCNQ2-Cam in Complex with HN37


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human KCNQ2-Cam in Complex with HN37 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F801

b:85.9
occ:1.00
F25 D:9MF801 0.0 85.9 1.0
C22 D:9MF801 1.4 78.2 1.0
C23 D:9MF801 2.4 74.1 1.0
C21 D:9MF801 2.4 72.9 1.0
H211 D:9MF801 2.6 74.8 1.0
H231 D:9MF801 2.6 74.5 1.0
H132 A:9MF801 2.6 42.6 1.0
H051 A:9MF801 3.0 41.8 1.0
C13 A:9MF801 3.5 41.3 1.0
C24 D:9MF801 3.6 77.6 1.0
C20 D:9MF801 3.6 71.7 1.0
C05 A:9MF801 3.7 38.6 1.0
H181 A:9MF801 3.8 42.8 1.0
H133 A:9MF801 4.0 43.1 1.0
H131 A:9MF801 4.0 42.4 1.0
H201 A:9MF801 4.1 43.5 1.0
C06 A:9MF801 4.1 42.6 1.0
C19 D:9MF801 4.1 76.3 1.0
C20 A:9MF801 4.1 43.0 1.0
C19 A:9MF801 4.3 36.4 1.0
H241 D:9MF801 4.4 76.4 1.0
H201 D:9MF801 4.4 76.2 1.0
CD2 A:TRP236 4.4 39.9 1.0
CE3 A:TRP236 4.5 48.2 1.0
C18 A:9MF801 4.5 39.2 1.0
CE2 A:TRP236 4.6 41.2 1.0
C21 A:9MF801 4.7 49.2 1.0
HE3 A:TRP236 4.7 41.5 1.0
CZ3 A:TRP236 4.7 49.0 1.0
HB3 A:TRP236 4.8 39.6 1.0
CG A:TRP236 4.8 28.3 1.0
C04 A:9MF801 4.9 42.6 1.0
CZ2 A:TRP236 4.9 41.9 1.0
H211 A:9MF801 4.9 43.7 1.0
C24 A:9MF801 4.9 48.4 1.0
CH2 A:TRP236 4.9 45.5 1.0

Reference:

D.Ma, Y.Zheng, X.Li, X.Zhou, Z.Yang, Y.Zhang, L.Wang, W.Zhang, J.Fang, G.Zhao, P.Hou, F.Nan, W.Yang, N.Su, Z.Gao, J.Guo. Ligand Activation Mechanisms of Human KCNQ2 Channel. Nat Commun V. 14 6632 2023.
ISSN: ESSN 2041-1723
PubMed: 37857637
DOI: 10.1038/S41467-023-42416-X
Page generated: Fri Aug 2 20:53:01 2024

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