Fluorine in PDB 8xgj: Human CX36/GJD2 Gap Junction Channel in Complex with Mefloquine.

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>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 72;

Binding sites:

The binding sites of Fluorine atom in the Human CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. (pdb code 8xgj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 72 binding sites of Fluorine where determined in the Human CX36/GJD2 Gap Junction Channel in Complex with Mefloquine., PDB code: 8xgj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:76.3 occ:1.00 FAE A:YMZ401 0.0 76.3 1.0 CAZ A:YMZ401 1.4 76.3 1.0 FAG A:YMZ401 2.2 76.8 1.0 FAF A:YMZ401 2.2 76.4 1.0 CAT A:YMZ401 2.4 74.8 1.0 NAP A:YMZ401 2.8 73.0 1.0 CAV A:YMZ401 2.9 74.6 1.0 HG23 A:ILE35 3.4 54.8 1.0 CAI A:YMZ401 3.4 75.1 1.0 HB2 A:ALA39 3.6 55.9 1.0 CAR A:YMZ401 4.0 76.0 1.0 HG21 A:ILE35 4.1 54.8 1.0 CG2 A:ILE35 4.2 51.0 1.0 CAU A:YMZ401 4.2 75.6 1.0 FAB A:YMZ401 4.3 78.2 1.0 HG21 A:ILE83 4.3 52.6 1.0 CB A:ALA39 4.5 54.9 1.0 HB1 A:ALA39 4.5 55.9 1.0 CAY A:YMZ401 4.6 79.1 1.0 HG22 A:ILE35 4.6 54.8 1.0 CAH A:YMZ401 4.6 75.3 1.0 FAC A:YMZ401 4.6 76.8 1.0 HD13 F:ILE40 4.7 56.9 1.0 HG22 A:ILE83 4.8 52.9 1.0 HG12 A:ILE35 4.8 55.3 1.0 CAJ A:YMZ401 4.9 74.0 1.0 HA A:ALA39 4.9 55.9 1.0 HD12 A:ILE83 5.0 52.4 1.0

Fluorine binding site 2 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:76.4 occ:1.00 FAF A:YMZ401 0.0 76.4 1.0 CAZ A:YMZ401 1.4 76.3 1.0 FAG A:YMZ401 2.2 76.8 1.0 FAE A:YMZ401 2.2 76.3 1.0 CAT A:YMZ401 2.4 74.8 1.0 CAI A:YMZ401 2.7 75.1 1.0 HD12 A:ILE83 3.2 52.4 1.0 HG21 A:ILE83 3.3 52.6 1.0 HG22 A:VAL80 3.4 45.6 1.0 CAV A:YMZ401 3.7 74.6 1.0 HG22 A:ILE83 3.7 52.9 1.0 HG12 A:VAL38 3.8 51.2 1.0 HG13 A:VAL80 3.8 46.0 1.0 HA A:VAL80 3.8 45.6 1.0 CG2 A:ILE83 3.9 52.0 1.0 HB A:ILE83 4.1 52.8 1.0 CAH A:YMZ401 4.1 75.3 1.0 HG23 A:ILE35 4.2 54.8 1.0 NAP A:YMZ401 4.2 73.0 1.0 CD1 A:ILE83 4.2 52.5 1.0 HB2 A:ALA39 4.3 55.9 1.0 HG11 A:VAL38 4.3 50.9 1.0 CG2 A:VAL80 4.4 43.9 1.0 CG1 A:VAL38 4.5 50.8 1.0 CB A:ILE83 4.5 54.8 1.0 HD13 A:ILE83 4.5 53.2 1.0 CG1 A:VAL80 4.6 47.0 1.0 HB A:VAL38 4.6 51.6 1.0 HG13 A:ILE84 4.6 54.3 1.0 HD11 A:ILE83 4.6 52.3 1.0 CA A:VAL80 4.7 42.8 1.0 HG23 A:ILE83 4.7 52.9 1.0 HG11 A:VAL80 4.8 45.8 1.0 CAU A:YMZ401 4.8 75.6 1.0 HG12 A:ILE35 4.8 55.3 1.0 HG21 A:VAL80 4.8 46.0 1.0 CB A:VAL80 4.8 43.2 1.0 HG21 F:ILE40 4.9 56.8 1.0 HG23 A:VAL80 4.9 45.7 1.0 HA A:ILE35 4.9 55.3 1.0 CAJ A:YMZ401 4.9 74.0 1.0 HA A:ALA39 4.9 55.9 1.0 CG1 A:ILE83 5.0 53.7 1.0

Fluorine binding site 3 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:76.8 occ:1.00 FAG A:YMZ401 0.0 76.8 1.0 CAZ A:YMZ401 1.4 76.3 1.0 FAE A:YMZ401 2.2 76.3 1.0 FAF A:YMZ401 2.2 76.4 1.0 CAT A:YMZ401 2.4 74.8 1.0 HD13 F:ILE40 2.9 56.9 1.0 NAP A:YMZ401 2.9 73.0 1.0 CAV A:YMZ401 3.0 74.6 1.0 HG21 F:ILE40 3.2 56.8 1.0 CAI A:YMZ401 3.4 75.1 1.0 HG13 A:VAL80 3.6 46.0 1.0 HD11 A:ILE84 3.8 54.9 1.0 CD1 F:ILE40 3.8 58.1 1.0 HD12 F:ILE40 3.9 57.4 1.0 FAB A:YMZ401 4.0 78.2 1.0 CAR A:YMZ401 4.1 76.0 1.0 HG13 A:ILE84 4.2 54.3 1.0 CG2 F:ILE40 4.2 55.4 1.0 HG22 A:VAL80 4.2 45.6 1.0 CAU A:YMZ401 4.2 75.6 1.0 HG11 A:VAL80 4.2 45.8 1.0 HD11 F:ILE40 4.2 57.5 1.0 CG1 A:VAL80 4.4 47.0 1.0 HG22 A:ILE83 4.5 52.9 1.0 HG23 F:ILE40 4.6 57.2 1.0 HG12 A:ILE84 4.6 54.3 1.0 HG22 F:ILE40 4.6 57.0 1.0 CAH A:YMZ401 4.6 75.3 1.0 CD1 A:ILE84 4.6 55.6 1.0 CAY A:YMZ401 4.7 79.1 1.0 CG1 A:ILE84 4.7 52.9 1.0 HG21 A:ILE83 4.7 52.6 1.0 CG1 F:ILE40 4.8 57.9 1.0 HG12 F:ILE40 4.8 56.9 1.0 HA A:VAL80 4.9 45.6 1.0 CAJ A:YMZ401 4.9 74.0 1.0 CG2 A:VAL80 5.0 43.9 1.0

Fluorine binding site 4 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:76.8 occ:1.00 FAC A:YMZ401 0.0 76.8 1.0 CAY A:YMZ401 1.4 79.1 1.0 FAB A:YMZ401 2.2 78.2 1.0 FAD A:YMZ401 2.2 79.2 1.0 CAR A:YMZ401 2.3 76.0 1.0 NAP A:YMZ401 3.1 73.0 1.0 CAK A:YMZ401 3.2 73.4 1.0 CAV A:YMZ401 4.3 74.6 1.0 CAS A:YMZ401 4.4 74.7 1.0 FAE A:YMZ401 4.6 76.3 1.0 CAU A:YMZ401 4.8 75.6 1.0

Fluorine binding site 5 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:79.2 occ:1.00 FAD A:YMZ401 0.0 79.2 1.0 CAY A:YMZ401 1.4 79.1 1.0 FAB A:YMZ401 2.2 78.2 1.0 FAC A:YMZ401 2.2 76.8 1.0 CAR A:YMZ401 2.4 76.0 1.0 CAK A:YMZ401 2.8 73.4 1.0 NAP A:YMZ401 3.5 73.0 1.0 HG12 F:ILE40 3.9 56.9 1.0 CAS A:YMZ401 4.1 74.7 1.0 CAV A:YMZ401 4.6 74.6 1.0 HD13 F:ILE40 4.7 56.9 1.0 OAA A:YMZ401 4.8 76.8 1.0 CG1 F:ILE40 4.8 57.9 1.0 CAL F:YMZ401 4.8 76.8 1.0 CAU A:YMZ401 4.9 75.6 1.0 HD11 F:ILE40 4.9 57.5 1.0 HG23 F:ILE40 4.9 57.2 1.0

Fluorine binding site 6 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:78.2 occ:1.00 FAB A:YMZ401 0.0 78.2 1.0 CAY A:YMZ401 1.4 79.1 1.0 FAC A:YMZ401 2.2 76.8 1.0 FAD A:YMZ401 2.2 79.2 1.0 CAR A:YMZ401 2.4 76.0 1.0 NAP A:YMZ401 2.7 73.0 1.0 HD13 F:ILE40 3.2 56.9 1.0 HD11 F:ILE40 3.6 57.5 1.0 CAK A:YMZ401 3.6 73.4 1.0 HG12 F:ILE40 3.6 56.9 1.0 CD1 F:ILE40 3.8 58.1 1.0 CAV A:YMZ401 4.0 74.6 1.0 FAG A:YMZ401 4.0 76.8 1.0 CG1 F:ILE40 4.2 57.9 1.0 FAE A:YMZ401 4.3 76.3 1.0 HG21 F:ILE40 4.5 56.8 1.0 CAZ A:YMZ401 4.6 76.3 1.0 HD12 F:ILE40 4.6 57.4 1.0 CAS A:YMZ401 4.7 74.7 1.0 HG13 F:ILE40 4.8 57.4 1.0 CAT A:YMZ401 4.8 74.8 1.0 HD22 F:LEU36 4.8 57.1 1.0 HG23 F:ILE40 4.8 57.2 1.0 CAU A:YMZ401 4.8 75.6 1.0

Fluorine binding site 7 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:76.3 occ:1.00 FAE B:YMZ401 0.0 76.3 1.0 CAZ B:YMZ401 1.4 76.3 1.0 FAG B:YMZ401 2.2 76.8 1.0 FAF B:YMZ401 2.2 76.4 1.0 CAT B:YMZ401 2.4 74.8 1.0 NAP B:YMZ401 2.8 73.0 1.0 CAV B:YMZ401 2.9 74.6 1.0 HG23 B:ILE35 3.4 54.8 1.0 CAI B:YMZ401 3.4 75.1 1.0 HB2 B:ALA39 3.6 55.9 1.0 CAR B:YMZ401 4.0 76.0 1.0 HG21 B:ILE35 4.1 54.8 1.0 CG2 B:ILE35 4.2 51.0 1.0 CAU B:YMZ401 4.2 75.6 1.0 FAB B:YMZ401 4.3 78.2 1.0 HG21 B:ILE83 4.3 52.6 1.0 CB B:ALA39 4.5 54.9 1.0 HB1 B:ALA39 4.5 55.9 1.0 CAY B:YMZ401 4.6 79.1 1.0 HG22 B:ILE35 4.6 54.8 1.0 CAH B:YMZ401 4.6 75.3 1.0 FAC B:YMZ401 4.6 76.8 1.0 HD13 A:ILE40 4.7 56.9 1.0 HG22 B:ILE83 4.8 52.9 1.0 HG12 B:ILE35 4.8 55.3 1.0 CAJ B:YMZ401 4.9 74.0 1.0 HA B:ALA39 4.9 55.9 1.0 HD12 B:ILE83 5.0 52.4 1.0

Fluorine binding site 8 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:76.4 occ:1.00 FAF B:YMZ401 0.0 76.4 1.0 CAZ B:YMZ401 1.4 76.3 1.0 FAG B:YMZ401 2.2 76.8 1.0 FAE B:YMZ401 2.2 76.3 1.0 CAT B:YMZ401 2.4 74.8 1.0 CAI B:YMZ401 2.7 75.1 1.0 HD12 B:ILE83 3.2 52.4 1.0 HG21 B:ILE83 3.3 52.6 1.0 HG22 B:VAL80 3.4 45.6 1.0 CAV B:YMZ401 3.7 74.6 1.0 HG22 B:ILE83 3.7 52.9 1.0 HG12 B:VAL38 3.8 51.2 1.0 HG13 B:VAL80 3.8 46.0 1.0 HA B:VAL80 3.8 45.6 1.0 CG2 B:ILE83 3.9 52.0 1.0 HB B:ILE83 4.1 52.8 1.0 CAH B:YMZ401 4.1 75.3 1.0 HG23 B:ILE35 4.2 54.8 1.0 NAP B:YMZ401 4.2 73.0 1.0 CD1 B:ILE83 4.2 52.5 1.0 HB2 B:ALA39 4.3 55.9 1.0 HG11 B:VAL38 4.3 50.9 1.0 CG2 B:VAL80 4.4 43.9 1.0 CG1 B:VAL38 4.5 50.8 1.0 CB B:ILE83 4.5 54.8 1.0 HD13 B:ILE83 4.5 53.2 1.0 CG1 B:VAL80 4.6 47.0 1.0 HB B:VAL38 4.6 51.6 1.0 HG13 B:ILE84 4.6 54.3 1.0 HD11 B:ILE83 4.6 52.3 1.0 CA B:VAL80 4.7 42.8 1.0 HG23 B:ILE83 4.7 52.9 1.0 CAU B:YMZ401 4.8 75.6 1.0 HG11 B:VAL80 4.8 45.8 1.0 HG12 B:ILE35 4.8 55.3 1.0 HG21 B:VAL80 4.8 46.0 1.0 CB B:VAL80 4.8 43.2 1.0 HG21 A:ILE40 4.9 56.8 1.0 HG23 B:VAL80 4.9 45.7 1.0 HA B:ILE35 4.9 55.3 1.0 CAJ B:YMZ401 4.9 74.0 1.0 HA B:ALA39 4.9 55.9 1.0 CG1 B:ILE83 5.0 53.7 1.0

Fluorine binding site 9 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:76.8 occ:1.00 FAG B:YMZ401 0.0 76.8 1.0 CAZ B:YMZ401 1.4 76.3 1.0 FAE B:YMZ401 2.2 76.3 1.0 FAF B:YMZ401 2.2 76.4 1.0 CAT B:YMZ401 2.4 74.8 1.0 HD13 A:ILE40 2.9 56.9 1.0 NAP B:YMZ401 2.9 73.0 1.0 CAV B:YMZ401 3.0 74.6 1.0 HG21 A:ILE40 3.2 56.8 1.0 CAI B:YMZ401 3.4 75.1 1.0 HG13 B:VAL80 3.6 46.0 1.0 HD11 B:ILE84 3.8 54.9 1.0 CD1 A:ILE40 3.8 58.1 1.0 HD12 A:ILE40 3.9 57.4 1.0 FAB B:YMZ401 4.0 78.2 1.0 CAR B:YMZ401 4.1 76.0 1.0 HG13 B:ILE84 4.2 54.3 1.0 CG2 A:ILE40 4.2 55.4 1.0 HG22 B:VAL80 4.2 45.6 1.0 CAU B:YMZ401 4.2 75.6 1.0 HG11 B:VAL80 4.2 45.8 1.0 HD11 A:ILE40 4.3 57.5 1.0 CG1 B:VAL80 4.4 47.0 1.0 HG22 B:ILE83 4.5 52.9 1.0 HG23 A:ILE40 4.6 57.2 1.0 HG12 B:ILE84 4.6 54.3 1.0 HG22 A:ILE40 4.6 57.0 1.0 CAH B:YMZ401 4.6 75.3 1.0 CD1 B:ILE84 4.6 55.6 1.0 CAY B:YMZ401 4.7 79.1 1.0 CG1 B:ILE84 4.7 52.9 1.0 HG21 B:ILE83 4.7 52.6 1.0 CG1 A:ILE40 4.8 57.9 1.0 HG12 A:ILE40 4.8 56.9 1.0 HA B:VAL80 4.9 45.6 1.0 CAJ B:YMZ401 4.9 74.0 1.0 CG2 B:VAL80 5.0 43.9 1.0

Fluorine binding site 10 out of 72 in the Human CX36/GJD2 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 CX36/GJD2 Gap Junction Channel in Complex with Mefloquine. within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:76.8 occ:1.00 FAC B:YMZ401 0.0 76.8 1.0 CAY B:YMZ401 1.4 79.1 1.0 FAB B:YMZ401 2.2 78.2 1.0 FAD B:YMZ401 2.2 79.2 1.0 CAR B:YMZ401 2.3 76.0 1.0 NAP B:YMZ401 3.1 73.0 1.0 CAK B:YMZ401 3.2 73.4 1.0 CAV B:YMZ401 4.3 74.6 1.0 CAS B:YMZ401 4.4 74.7 1.0 FAE B:YMZ401 4.6 76.3 1.0 CAU B:YMZ401 4.8 75.6 1.0

H.J.Cho, D.K.Chung, H.H.Lee. Mefloquine-Induced Conformational Shift in CX36 N-Terminal Helix Leading to Channel Closure Mediated By Lipid Bilayer. Nat Commun V. 15 9223 2024.
ISSN: ESSN 2041-1723
PubMed: 39455592
DOI: 10.1038/S41467-024-53587-6