Fluorine in PDB 8qoj: Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Fluorine Binding Sites:
Fluorine binding site 1 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 1 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:91.3
occ:1.00
|
FAE
|
A:YMZ401
|
0.0
|
91.3
|
1.0
|
CAZ
|
A:YMZ401
|
1.3
|
91.4
|
1.0
|
FAG
|
A:YMZ401
|
2.1
|
97.0
|
1.0
|
FAF
|
A:YMZ401
|
2.1
|
96.1
|
1.0
|
CAT
|
A:YMZ401
|
2.3
|
78.2
|
1.0
|
NAP
|
A:YMZ401
|
2.8
|
68.7
|
1.0
|
CAV
|
A:YMZ401
|
3.0
|
72.1
|
1.0
|
HG23
|
A:ILE35
|
3.0
|
68.7
|
1.0
|
HB2
|
A:ALA39
|
3.0
|
70.6
|
1.0
|
CAI
|
A:YMZ401
|
3.4
|
81.0
|
1.0
|
H1
|
A:YMZ401
|
3.6
|
81.4
|
1.0
|
CG2
|
A:ILE35
|
3.9
|
64.4
|
1.0
|
CB
|
A:ALA39
|
3.9
|
64.8
|
1.0
|
CAR
|
A:YMZ401
|
4.0
|
78.5
|
1.0
|
HG21
|
A:ILE83
|
4.1
|
69.1
|
1.0
|
HG21
|
A:ILE35
|
4.1
|
70.2
|
1.0
|
FAB
|
A:YMZ401
|
4.1
|
94.5
|
1.0
|
O
|
A:ILE35
|
4.2
|
69.2
|
1.0
|
HG12
|
A:ILE35
|
4.2
|
70.3
|
1.0
|
HA
|
A:ILE35
|
4.3
|
69.1
|
1.0
|
HB1
|
A:ALA39
|
4.3
|
69.7
|
1.0
|
CAU
|
A:YMZ401
|
4.3
|
78.0
|
1.0
|
HD13
|
A:ILE83
|
4.3
|
70.5
|
1.0
|
HA
|
A:ALA39
|
4.3
|
71.3
|
1.0
|
H
|
A:ALA39
|
4.4
|
70.7
|
1.0
|
HG22
|
A:ILE35
|
4.4
|
69.8
|
1.0
|
HB3
|
A:ALA39
|
4.5
|
70.0
|
1.0
|
HD13
|
B:ILE40
|
4.5
|
69.6
|
1.0
|
HG12
|
A:VAL38
|
4.6
|
66.8
|
1.0
|
CA
|
A:ALA39
|
4.6
|
67.3
|
1.0
|
CAY
|
A:YMZ401
|
4.6
|
91.8
|
1.0
|
CAH
|
A:YMZ401
|
4.6
|
81.7
|
1.0
|
HG22
|
A:ILE83
|
4.6
|
69.7
|
1.0
|
HB
|
A:VAL38
|
4.7
|
67.8
|
1.0
|
HD12
|
A:ILE83
|
4.7
|
69.9
|
1.0
|
HG22
|
A:VAL80
|
4.7
|
63.4
|
1.0
|
N
|
A:ALA39
|
4.7
|
69.8
|
1.0
|
HD11
|
A:ILE84
|
4.8
|
71.1
|
1.0
|
CB
|
A:ILE35
|
4.8
|
67.4
|
1.0
|
CG2
|
A:ILE83
|
4.8
|
68.9
|
1.0
|
CA
|
A:ILE35
|
4.8
|
64.1
|
1.0
|
C
|
A:ILE35
|
4.9
|
67.4
|
1.0
|
CAJ
|
A:YMZ401
|
4.9
|
80.7
|
1.0
|
CD1
|
A:ILE83
|
5.0
|
71.9
|
1.0
|
CG1
|
A:ILE35
|
5.0
|
74.5
|
1.0
|
|
Fluorine binding site 2 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 2 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:96.1
occ:1.00
|
FAF
|
A:YMZ401
|
0.0
|
96.1
|
1.0
|
CAZ
|
A:YMZ401
|
1.3
|
91.4
|
1.0
|
FAE
|
A:YMZ401
|
2.1
|
91.3
|
1.0
|
FAG
|
A:YMZ401
|
2.2
|
97.0
|
1.0
|
CAT
|
A:YMZ401
|
2.4
|
78.2
|
1.0
|
H1
|
A:YMZ401
|
2.4
|
81.4
|
1.0
|
CAI
|
A:YMZ401
|
2.7
|
81.0
|
1.0
|
HG22
|
A:VAL80
|
2.8
|
63.4
|
1.0
|
HD12
|
A:ILE83
|
3.0
|
69.9
|
1.0
|
HG12
|
A:VAL38
|
3.3
|
66.8
|
1.0
|
HD13
|
A:ILE83
|
3.3
|
70.5
|
1.0
|
HA
|
A:VAL80
|
3.4
|
63.6
|
1.0
|
CD1
|
A:ILE83
|
3.6
|
71.9
|
1.0
|
CAV
|
A:YMZ401
|
3.7
|
72.1
|
1.0
|
HG11
|
A:VAL38
|
3.7
|
66.5
|
1.0
|
HG21
|
A:ILE83
|
3.7
|
69.1
|
1.0
|
CG2
|
A:VAL80
|
3.8
|
59.1
|
1.0
|
HB
|
A:ILE83
|
3.8
|
70.1
|
1.0
|
HG13
|
A:VAL80
|
3.9
|
64.5
|
1.0
|
CG1
|
A:VAL38
|
3.9
|
63.9
|
1.0
|
HB
|
A:VAL38
|
3.9
|
67.8
|
1.0
|
CAH
|
A:YMZ401
|
4.1
|
81.7
|
1.0
|
NAP
|
A:YMZ401
|
4.1
|
68.7
|
1.0
|
HG23
|
A:VAL80
|
4.2
|
63.4
|
1.0
|
HG22
|
A:ILE83
|
4.2
|
69.7
|
1.0
|
CA
|
A:VAL80
|
4.2
|
59.2
|
1.0
|
HB2
|
A:ALA39
|
4.3
|
70.6
|
1.0
|
CG2
|
A:ILE83
|
4.3
|
68.9
|
1.0
|
HD11
|
A:ILE83
|
4.3
|
70.4
|
1.0
|
HG21
|
A:VAL80
|
4.3
|
63.4
|
1.0
|
CB
|
A:ILE83
|
4.4
|
70.7
|
1.0
|
CB
|
A:VAL80
|
4.4
|
60.3
|
1.0
|
HG23
|
A:ILE35
|
4.4
|
68.7
|
1.0
|
CB
|
A:VAL38
|
4.5
|
65.4
|
1.0
|
CG1
|
A:VAL80
|
4.5
|
68.1
|
1.0
|
HA
|
A:ILE35
|
4.6
|
69.1
|
1.0
|
CG1
|
A:ILE83
|
4.6
|
67.5
|
1.0
|
HA
|
A:ALA39
|
4.6
|
71.3
|
1.0
|
H2
|
A:YMZ401
|
4.6
|
81.0
|
1.0
|
HG21
|
B:ILE40
|
4.7
|
69.4
|
1.0
|
HD11
|
A:ILE84
|
4.7
|
71.1
|
1.0
|
H
|
A:ALA39
|
4.7
|
70.7
|
1.0
|
HG11
|
A:VAL80
|
4.7
|
64.4
|
1.0
|
HG13
|
A:VAL38
|
4.7
|
67.0
|
1.0
|
HD13
|
B:ILE40
|
4.8
|
69.6
|
1.0
|
HD13
|
A:ILE84
|
4.8
|
72.2
|
1.0
|
CAU
|
A:YMZ401
|
4.8
|
78.0
|
1.0
|
HG12
|
A:ILE35
|
4.8
|
70.3
|
1.0
|
N
|
A:ALA39
|
4.8
|
69.8
|
1.0
|
CAJ
|
A:YMZ401
|
5.0
|
80.7
|
1.0
|
O
|
A:ILE35
|
5.0
|
69.2
|
1.0
|
|
Fluorine binding site 3 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 3 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:97.0
occ:1.00
|
FAG
|
A:YMZ401
|
0.0
|
97.0
|
1.0
|
CAZ
|
A:YMZ401
|
1.3
|
91.4
|
1.0
|
FAE
|
A:YMZ401
|
2.1
|
91.3
|
1.0
|
FAF
|
A:YMZ401
|
2.2
|
96.1
|
1.0
|
CAT
|
A:YMZ401
|
2.4
|
78.2
|
1.0
|
HD13
|
B:ILE40
|
2.8
|
69.6
|
1.0
|
NAP
|
A:YMZ401
|
2.9
|
68.7
|
1.0
|
CAV
|
A:YMZ401
|
3.0
|
72.1
|
1.0
|
HD11
|
A:ILE84
|
3.1
|
71.1
|
1.0
|
CAI
|
A:YMZ401
|
3.4
|
81.0
|
1.0
|
HG13
|
A:VAL80
|
3.4
|
64.5
|
1.0
|
HG21
|
B:ILE40
|
3.5
|
69.4
|
1.0
|
H1
|
A:YMZ401
|
3.6
|
81.4
|
1.0
|
HG22
|
A:VAL80
|
3.6
|
63.4
|
1.0
|
CD1
|
B:ILE40
|
3.7
|
66.8
|
1.0
|
HD12
|
B:ILE40
|
3.8
|
69.6
|
1.0
|
HD13
|
A:ILE84
|
3.9
|
72.2
|
1.0
|
CD1
|
A:ILE84
|
3.9
|
70.4
|
1.0
|
FAB
|
A:YMZ401
|
4.0
|
94.5
|
1.0
|
HD11
|
B:ILE40
|
4.0
|
69.4
|
1.0
|
CAR
|
A:YMZ401
|
4.0
|
78.5
|
1.0
|
HG11
|
A:VAL80
|
4.2
|
64.4
|
1.0
|
CG1
|
A:VAL80
|
4.2
|
68.1
|
1.0
|
HA
|
A:VAL80
|
4.3
|
63.6
|
1.0
|
HG22
|
A:ILE83
|
4.3
|
69.7
|
1.0
|
CAU
|
A:YMZ401
|
4.3
|
78.0
|
1.0
|
HG12
|
A:ILE84
|
4.4
|
73.0
|
1.0
|
HG21
|
A:ILE83
|
4.4
|
69.1
|
1.0
|
CG2
|
B:ILE40
|
4.5
|
65.8
|
1.0
|
CG2
|
A:VAL80
|
4.5
|
59.1
|
1.0
|
CAH
|
A:YMZ401
|
4.6
|
81.7
|
1.0
|
HB
|
A:ILE83
|
4.6
|
70.1
|
1.0
|
HD12
|
A:ILE84
|
4.6
|
72.6
|
1.0
|
CAY
|
A:YMZ401
|
4.6
|
91.8
|
1.0
|
CG1
|
A:ILE84
|
4.7
|
73.1
|
1.0
|
HG21
|
A:VAL80
|
4.7
|
63.4
|
1.0
|
CG1
|
B:ILE40
|
4.8
|
67.5
|
1.0
|
CG2
|
A:ILE83
|
4.8
|
68.9
|
1.0
|
HG12
|
B:ILE40
|
4.8
|
69.0
|
1.0
|
CB
|
A:VAL80
|
4.8
|
60.3
|
1.0
|
HG23
|
B:ILE40
|
4.8
|
68.8
|
1.0
|
HB2
|
A:ALA39
|
4.8
|
70.6
|
1.0
|
HD12
|
A:ILE83
|
4.8
|
69.9
|
1.0
|
HG13
|
A:ILE84
|
4.9
|
71.5
|
1.0
|
HG23
|
A:ILE35
|
4.9
|
68.7
|
1.0
|
HG22
|
B:ILE40
|
4.9
|
69.9
|
1.0
|
CAJ
|
A:YMZ401
|
5.0
|
80.7
|
1.0
|
HG12
|
A:VAL80
|
5.0
|
64.3
|
1.0
|
CA
|
A:VAL80
|
5.0
|
59.2
|
1.0
|
|
Fluorine binding site 4 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 4 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:96.8
occ:1.00
|
FAC
|
A:YMZ401
|
0.0
|
96.8
|
1.0
|
CAY
|
A:YMZ401
|
1.3
|
91.8
|
1.0
|
FAD
|
A:YMZ401
|
2.1
|
89.0
|
1.0
|
FAB
|
A:YMZ401
|
2.2
|
94.5
|
1.0
|
CAR
|
A:YMZ401
|
2.3
|
78.5
|
1.0
|
H4
|
A:YMZ401
|
3.0
|
81.5
|
1.0
|
CAK
|
A:YMZ401
|
3.0
|
74.5
|
1.0
|
NAP
|
A:YMZ401
|
3.2
|
68.7
|
1.0
|
H9
|
A:YMZ401
|
4.2
|
81.1
|
1.0
|
CAS
|
A:YMZ401
|
4.3
|
78.7
|
1.0
|
CAV
|
A:YMZ401
|
4.4
|
72.1
|
1.0
|
CAU
|
A:YMZ401
|
4.9
|
78.0
|
1.0
|
HB1
|
A:ALA39
|
4.9
|
69.7
|
1.0
|
H8
|
A:YMZ401
|
5.0
|
82.3
|
1.0
|
|
Fluorine binding site 5 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 5 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:89.0
occ:1.00
|
FAD
|
A:YMZ401
|
0.0
|
89.0
|
1.0
|
CAY
|
A:YMZ401
|
1.3
|
91.8
|
1.0
|
FAC
|
A:YMZ401
|
2.1
|
96.8
|
1.0
|
FAB
|
A:YMZ401
|
2.2
|
94.5
|
1.0
|
CAR
|
A:YMZ401
|
2.3
|
78.5
|
1.0
|
H4
|
A:YMZ401
|
2.6
|
81.5
|
1.0
|
CAK
|
A:YMZ401
|
2.8
|
74.5
|
1.0
|
NAP
|
A:YMZ401
|
3.4
|
68.7
|
1.0
|
HG12
|
B:ILE40
|
3.8
|
69.0
|
1.0
|
HD11
|
B:ILE40
|
3.8
|
69.4
|
1.0
|
CAS
|
A:YMZ401
|
4.1
|
78.7
|
1.0
|
HD13
|
B:ILE40
|
4.1
|
69.6
|
1.0
|
CD1
|
B:ILE40
|
4.3
|
66.8
|
1.0
|
CG1
|
B:ILE40
|
4.4
|
67.5
|
1.0
|
CAV
|
A:YMZ401
|
4.5
|
72.1
|
1.0
|
HG13
|
B:ILE40
|
4.6
|
69.8
|
1.0
|
H10
|
B:YMZ401
|
4.7
|
82.7
|
1.0
|
OAA
|
A:YMZ401
|
4.8
|
91.3
|
1.0
|
CAU
|
A:YMZ401
|
4.9
|
78.0
|
1.0
|
HD22
|
B:LEU36
|
4.9
|
70.3
|
1.0
|
H9
|
A:YMZ401
|
5.0
|
81.1
|
1.0
|
|
Fluorine binding site 6 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 6 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:94.5
occ:1.00
|
FAB
|
A:YMZ401
|
0.0
|
94.5
|
1.0
|
CAY
|
A:YMZ401
|
1.3
|
91.8
|
1.0
|
FAD
|
A:YMZ401
|
2.2
|
89.0
|
1.0
|
FAC
|
A:YMZ401
|
2.2
|
96.8
|
1.0
|
CAR
|
A:YMZ401
|
2.4
|
78.5
|
1.0
|
NAP
|
A:YMZ401
|
2.6
|
68.7
|
1.0
|
HD11
|
B:ILE40
|
3.5
|
69.4
|
1.0
|
HD13
|
B:ILE40
|
3.6
|
69.6
|
1.0
|
CAK
|
A:YMZ401
|
3.6
|
74.5
|
1.0
|
H4
|
A:YMZ401
|
3.9
|
81.5
|
1.0
|
CAV
|
A:YMZ401
|
4.0
|
72.1
|
1.0
|
CD1
|
B:ILE40
|
4.0
|
66.8
|
1.0
|
FAG
|
A:YMZ401
|
4.0
|
97.0
|
1.0
|
FAE
|
A:YMZ401
|
4.1
|
91.3
|
1.0
|
HG12
|
B:ILE40
|
4.4
|
69.0
|
1.0
|
CAZ
|
A:YMZ401
|
4.5
|
91.4
|
1.0
|
HD22
|
B:LEU36
|
4.6
|
70.3
|
1.0
|
CAS
|
A:YMZ401
|
4.7
|
78.7
|
1.0
|
HD12
|
B:ILE40
|
4.7
|
69.6
|
1.0
|
CAT
|
A:YMZ401
|
4.8
|
78.2
|
1.0
|
CG1
|
B:ILE40
|
4.8
|
67.5
|
1.0
|
CAU
|
A:YMZ401
|
4.9
|
78.0
|
1.0
|
HD11
|
A:ILE84
|
4.9
|
71.1
|
1.0
|
|
Fluorine binding site 7 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 7 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F401
b:92.6
occ:1.00
|
FAE
|
B:YMZ401
|
0.0
|
92.6
|
1.0
|
CAZ
|
B:YMZ401
|
1.3
|
92.3
|
1.0
|
FAG
|
B:YMZ401
|
2.1
|
97.0
|
1.0
|
FAF
|
B:YMZ401
|
2.1
|
93.2
|
1.0
|
CAT
|
B:YMZ401
|
2.3
|
81.7
|
1.0
|
NAP
|
B:YMZ401
|
2.8
|
71.6
|
1.0
|
CAV
|
B:YMZ401
|
2.9
|
74.9
|
1.0
|
HG23
|
B:ILE35
|
3.0
|
69.0
|
1.0
|
HB2
|
B:ALA39
|
3.0
|
70.9
|
1.0
|
CAI
|
B:YMZ401
|
3.4
|
82.5
|
1.0
|
H1
|
B:YMZ401
|
3.6
|
81.9
|
1.0
|
CG2
|
B:ILE35
|
3.9
|
63.2
|
1.0
|
CB
|
B:ALA39
|
4.0
|
65.0
|
1.0
|
CAR
|
B:YMZ401
|
4.0
|
80.2
|
1.0
|
HG21
|
B:ILE83
|
4.1
|
69.3
|
1.0
|
HG21
|
B:ILE35
|
4.1
|
70.3
|
1.0
|
FAB
|
B:YMZ401
|
4.1
|
94.1
|
1.0
|
HG12
|
B:ILE35
|
4.2
|
70.6
|
1.0
|
O
|
B:ILE35
|
4.2
|
71.0
|
1.0
|
CAU
|
B:YMZ401
|
4.3
|
77.9
|
1.0
|
HA
|
B:ILE35
|
4.3
|
69.7
|
1.0
|
HB1
|
B:ALA39
|
4.3
|
69.8
|
1.0
|
HD13
|
B:ILE83
|
4.4
|
70.6
|
1.0
|
HA
|
B:ALA39
|
4.4
|
70.8
|
1.0
|
H
|
B:ALA39
|
4.4
|
71.2
|
1.0
|
HG22
|
B:ILE35
|
4.4
|
70.3
|
1.0
|
HD13
|
C:ILE40
|
4.5
|
71.5
|
1.0
|
HD12
|
B:ILE83
|
4.5
|
69.8
|
1.0
|
HB3
|
B:ALA39
|
4.5
|
69.8
|
1.0
|
HG12
|
B:VAL38
|
4.6
|
67.3
|
1.0
|
CAY
|
B:YMZ401
|
4.6
|
93.2
|
1.0
|
CAH
|
B:YMZ401
|
4.6
|
84.1
|
1.0
|
CA
|
B:ALA39
|
4.6
|
64.8
|
1.0
|
HG22
|
B:ILE83
|
4.6
|
69.8
|
1.0
|
HB
|
B:VAL38
|
4.7
|
68.1
|
1.0
|
HG22
|
B:VAL80
|
4.7
|
63.8
|
1.0
|
N
|
B:ALA39
|
4.7
|
71.2
|
1.0
|
HD11
|
B:ILE84
|
4.7
|
70.9
|
1.0
|
CG2
|
B:ILE83
|
4.8
|
69.0
|
1.0
|
CB
|
B:ILE35
|
4.8
|
69.3
|
1.0
|
CA
|
B:ILE35
|
4.9
|
65.2
|
1.0
|
CD1
|
B:ILE83
|
4.9
|
72.6
|
1.0
|
C
|
B:ILE35
|
4.9
|
67.7
|
1.0
|
CAJ
|
B:YMZ401
|
4.9
|
81.1
|
1.0
|
CG1
|
B:ILE35
|
5.0
|
74.6
|
1.0
|
|
Fluorine binding site 8 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 8 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F401
b:93.2
occ:1.00
|
FAF
|
B:YMZ401
|
0.0
|
93.2
|
1.0
|
CAZ
|
B:YMZ401
|
1.3
|
92.3
|
1.0
|
FAE
|
B:YMZ401
|
2.1
|
92.6
|
1.0
|
FAG
|
B:YMZ401
|
2.2
|
97.0
|
1.0
|
CAT
|
B:YMZ401
|
2.4
|
81.7
|
1.0
|
H1
|
B:YMZ401
|
2.4
|
81.9
|
1.0
|
CAI
|
B:YMZ401
|
2.7
|
82.5
|
1.0
|
HG22
|
B:VAL80
|
2.9
|
63.8
|
1.0
|
HD12
|
B:ILE83
|
2.9
|
69.8
|
1.0
|
HG12
|
B:VAL38
|
3.3
|
67.3
|
1.0
|
HA
|
B:VAL80
|
3.4
|
64.0
|
1.0
|
HD13
|
B:ILE83
|
3.4
|
70.6
|
1.0
|
CD1
|
B:ILE83
|
3.6
|
72.6
|
1.0
|
CAV
|
B:YMZ401
|
3.7
|
74.9
|
1.0
|
HG21
|
B:ILE83
|
3.7
|
69.3
|
1.0
|
HG11
|
B:VAL38
|
3.7
|
67.3
|
1.0
|
HB
|
B:ILE83
|
3.8
|
69.4
|
1.0
|
CG2
|
B:VAL80
|
3.8
|
60.1
|
1.0
|
HG13
|
B:VAL80
|
3.9
|
64.9
|
1.0
|
CG1
|
B:VAL38
|
3.9
|
64.8
|
1.0
|
HB
|
B:VAL38
|
3.9
|
68.1
|
1.0
|
CAH
|
B:YMZ401
|
4.1
|
84.1
|
1.0
|
NAP
|
B:YMZ401
|
4.1
|
71.6
|
1.0
|
HG23
|
B:VAL80
|
4.2
|
64.2
|
1.0
|
HD11
|
B:ILE83
|
4.2
|
70.3
|
1.0
|
HB2
|
B:ALA39
|
4.2
|
70.9
|
1.0
|
CA
|
B:VAL80
|
4.2
|
58.7
|
1.0
|
HG22
|
B:ILE83
|
4.3
|
69.8
|
1.0
|
CG2
|
B:ILE83
|
4.3
|
69.0
|
1.0
|
HG21
|
B:VAL80
|
4.4
|
64.5
|
1.0
|
CB
|
B:ILE83
|
4.4
|
68.5
|
1.0
|
CB
|
B:VAL80
|
4.4
|
60.5
|
1.0
|
HG23
|
B:ILE35
|
4.4
|
69.0
|
1.0
|
CB
|
B:VAL38
|
4.5
|
65.9
|
1.0
|
CG1
|
B:VAL80
|
4.5
|
67.0
|
1.0
|
HA
|
B:ILE35
|
4.6
|
69.7
|
1.0
|
CG1
|
B:ILE83
|
4.6
|
68.3
|
1.0
|
H2
|
B:YMZ401
|
4.6
|
82.1
|
1.0
|
HA
|
B:ALA39
|
4.6
|
70.8
|
1.0
|
HD11
|
B:ILE84
|
4.7
|
70.9
|
1.0
|
HD13
|
B:ILE84
|
4.7
|
71.8
|
1.0
|
HG21
|
C:ILE40
|
4.7
|
70.1
|
1.0
|
H
|
B:ALA39
|
4.7
|
71.2
|
1.0
|
HG11
|
B:VAL80
|
4.7
|
64.8
|
1.0
|
HG13
|
B:VAL38
|
4.7
|
67.8
|
1.0
|
HD13
|
C:ILE40
|
4.8
|
71.5
|
1.0
|
CAU
|
B:YMZ401
|
4.8
|
77.9
|
1.0
|
HG12
|
B:ILE35
|
4.8
|
70.6
|
1.0
|
N
|
B:ALA39
|
4.8
|
71.2
|
1.0
|
CAJ
|
B:YMZ401
|
5.0
|
81.1
|
1.0
|
O
|
B:ILE35
|
5.0
|
71.0
|
1.0
|
|
Fluorine binding site 9 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 9 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F401
b:97.0
occ:1.00
|
FAG
|
B:YMZ401
|
0.0
|
97.0
|
1.0
|
CAZ
|
B:YMZ401
|
1.3
|
92.3
|
1.0
|
FAE
|
B:YMZ401
|
2.1
|
92.6
|
1.0
|
FAF
|
B:YMZ401
|
2.2
|
93.2
|
1.0
|
CAT
|
B:YMZ401
|
2.4
|
81.7
|
1.0
|
HD13
|
C:ILE40
|
2.8
|
71.5
|
1.0
|
NAP
|
B:YMZ401
|
2.9
|
71.6
|
1.0
|
CAV
|
B:YMZ401
|
3.0
|
74.9
|
1.0
|
HD11
|
B:ILE84
|
3.1
|
70.9
|
1.0
|
HG13
|
B:VAL80
|
3.4
|
64.9
|
1.0
|
CAI
|
B:YMZ401
|
3.4
|
82.5
|
1.0
|
HG21
|
C:ILE40
|
3.5
|
70.1
|
1.0
|
CD1
|
C:ILE40
|
3.6
|
70.7
|
1.0
|
H1
|
B:YMZ401
|
3.6
|
81.9
|
1.0
|
HD12
|
C:ILE40
|
3.6
|
71.3
|
1.0
|
HG22
|
B:VAL80
|
3.7
|
63.8
|
1.0
|
HD13
|
B:ILE84
|
3.8
|
71.8
|
1.0
|
CD1
|
B:ILE84
|
3.9
|
71.8
|
1.0
|
HD11
|
C:ILE40
|
4.0
|
70.4
|
1.0
|
FAB
|
B:YMZ401
|
4.0
|
94.1
|
1.0
|
CAR
|
B:YMZ401
|
4.1
|
80.2
|
1.0
|
CG1
|
B:VAL80
|
4.2
|
67.0
|
1.0
|
HG11
|
B:VAL80
|
4.2
|
64.8
|
1.0
|
HA
|
B:VAL80
|
4.3
|
64.0
|
1.0
|
CAU
|
B:YMZ401
|
4.3
|
77.9
|
1.0
|
HG22
|
B:ILE83
|
4.3
|
69.8
|
1.0
|
HG12
|
B:ILE84
|
4.4
|
72.1
|
1.0
|
CG2
|
C:ILE40
|
4.4
|
65.1
|
1.0
|
HG21
|
B:ILE83
|
4.5
|
69.3
|
1.0
|
CG2
|
B:VAL80
|
4.5
|
60.1
|
1.0
|
HB
|
B:ILE83
|
4.6
|
69.4
|
1.0
|
HD12
|
B:ILE84
|
4.6
|
72.2
|
1.0
|
CAH
|
B:YMZ401
|
4.6
|
84.1
|
1.0
|
CAY
|
B:YMZ401
|
4.7
|
93.2
|
1.0
|
HD12
|
B:ILE83
|
4.7
|
69.8
|
1.0
|
CG1
|
B:ILE84
|
4.7
|
71.6
|
1.0
|
HG21
|
B:VAL80
|
4.7
|
64.5
|
1.0
|
CG1
|
C:ILE40
|
4.7
|
69.4
|
1.0
|
CB
|
B:VAL80
|
4.8
|
60.5
|
1.0
|
HG23
|
C:ILE40
|
4.8
|
69.9
|
1.0
|
HG12
|
C:ILE40
|
4.8
|
70.2
|
1.0
|
CG2
|
B:ILE83
|
4.8
|
69.0
|
1.0
|
HB2
|
B:ALA39
|
4.8
|
70.9
|
1.0
|
HG13
|
B:ILE84
|
4.9
|
70.7
|
1.0
|
HG12
|
B:VAL80
|
4.9
|
64.8
|
1.0
|
HG22
|
C:ILE40
|
4.9
|
70.8
|
1.0
|
HG23
|
B:ILE35
|
4.9
|
69.0
|
1.0
|
CAJ
|
B:YMZ401
|
5.0
|
81.1
|
1.0
|
CA
|
B:VAL80
|
5.0
|
58.7
|
1.0
|
|
Fluorine binding site 10 out
of 72 in 8qoj
Go back to
Fluorine Binding Sites List in 8qoj
Fluorine binding site 10 out
of 72 in the Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Human Connexin-36 Gap Junction Channel in Complex with Mefloquine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F401
b:97.2
occ:1.00
|
FAC
|
B:YMZ401
|
0.0
|
97.2
|
1.0
|
CAY
|
B:YMZ401
|
1.3
|
93.2
|
1.0
|
FAD
|
B:YMZ401
|
2.1
|
94.8
|
1.0
|
FAB
|
B:YMZ401
|
2.2
|
94.1
|
1.0
|
CAR
|
B:YMZ401
|
2.3
|
80.2
|
1.0
|
H4
|
B:YMZ401
|
3.0
|
82.5
|
1.0
|
CAK
|
B:YMZ401
|
3.0
|
77.5
|
1.0
|
NAP
|
B:YMZ401
|
3.2
|
71.6
|
1.0
|
H8
|
B:YMZ401
|
4.2
|
81.7
|
1.0
|
CAS
|
B:YMZ401
|
4.3
|
79.1
|
1.0
|
CAV
|
B:YMZ401
|
4.4
|
74.9
|
1.0
|
CAU
|
B:YMZ401
|
4.9
|
77.9
|
1.0
|
H9
|
B:YMZ401
|
4.9
|
82.6
|
1.0
|
HB1
|
B:ALA39
|
5.0
|
69.8
|
1.0
|
|
Reference:
X.Ding,
S.Aureli,
A.Vaithia,
P.Lavriha,
D.Schuster,
B.Khanppnavar,
X.Li,
T.B.Blum,
P.Picotti,
F.L.Gervasio,
V.M.Korkhov.
Structural Basis of Connexin-36 Gap Junction Channel Inhibition. Cell Discov V. 10 68 2024.
ISSN: ESSN 2056-5968
PubMed: 38890333
DOI: 10.1038/S41421-024-00691-Y
Page generated: Fri Aug 2 22:31:10 2024
|