Fluorine in PDB 7bsu: Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State

The structure of Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State (pdb code 7bsu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State, PDB code: 7bsu:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State within 5.0Å range: probe atom residue distance (Å) B Occ A:F409 b:50.5 occ:1.00 F1 A:BFD409 0.0 50.5 1.0 BE A:BFD409 1.8 50.5 1.0 MG A:MG1100 2.0 45.8 1.0 OD2 A:BFD409 2.3 50.5 1.0 O A:THR411 2.7 50.5 1.0 OD1 A:BFD409 2.9 50.5 1.0 F2 A:BFD409 2.9 50.5 1.0 F3 A:BFD409 2.9 50.5 1.0 CG A:BFD409 3.0 50.5 1.0 OD1 A:ASP816 3.3 50.5 1.0 OD2 A:ASP820 3.8 50.5 1.0 C A:THR411 3.8 50.5 1.0 CA A:GLY180 4.2 59.0 1.0 O A:ALA176 4.2 59.6 1.0 OD1 A:ASN819 4.2 50.5 1.0 CB A:THR411 4.3 50.5 1.0 N A:THR411 4.3 50.5 1.0 CA A:THR411 4.4 50.5 1.0 ND2 A:ASN819 4.4 50.5 1.0 CB A:BFD409 4.5 50.5 1.0 OD1 A:ASP820 4.5 50.5 1.0 CG A:ASP816 4.5 50.5 1.0 CG A:ASP820 4.6 50.5 1.0 N A:GLY817 4.8 50.5 1.0 CG A:ASN819 4.8 50.5 1.0 N A:GLY180 4.8 59.0 1.0 N A:GLY412 4.9 50.5 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State within 5.0Å range: probe atom residue distance (Å) B Occ A:F409 b:50.5 occ:1.00 F2 A:BFD409 0.0 50.5 1.0 ND2 A:ASN819 1.6 50.5 1.0 BE A:BFD409 1.8 50.5 1.0 CG A:ASN819 2.4 50.5 1.0 OD1 A:ASN819 2.7 50.5 1.0 F1 A:BFD409 2.9 50.5 1.0 F3 A:BFD409 2.9 50.5 1.0 OD1 A:BFD409 2.9 50.5 1.0 NZ A:LYS795 3.2 50.5 1.0 OD2 A:ASP820 3.7 50.5 1.0 CA A:GLY180 3.7 59.0 1.0 N A:GLY180 3.8 59.0 1.0 OD1 A:ASP820 3.8 50.5 1.0 CB A:ASN819 3.8 50.5 1.0 CG A:BFD409 4.0 50.5 1.0 CG A:ASP820 4.1 50.5 1.0 OD2 A:BFD409 4.2 50.5 1.0 C A:ASP179 4.4 61.6 1.0 MG A:MG1100 4.5 45.8 1.0 CE A:LYS795 4.7 50.5 1.0 N A:GLY675 4.7 58.2 1.0 CA A:ASN819 4.8 50.5 1.0 C A:ASN819 4.9 50.5 1.0 N A:ASP820 4.9 50.5 1.0 CA A:ASP179 5.0 61.6 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of A Human ATP11C-CDC50A Flippase in Ptdser-Bound E2BEF State within 5.0Å range: probe atom residue distance (Å) B Occ A:F409 b:50.5 occ:1.00 F3 A:BFD409 0.0 50.5 1.0 BE A:BFD409 1.8 50.5 1.0 OD1 A:BFD409 2.8 50.5 1.0 F2 A:BFD409 2.9 50.5 1.0 F1 A:BFD409 2.9 50.5 1.0 CA A:GLY180 3.1 59.0 1.0 OG1 A:THR674 3.6 52.1 1.0 N A:THR411 3.6 50.5 1.0 N A:GLY675 3.7 58.2 1.0 CB A:THR411 3.7 50.5 1.0 OG1 A:THR411 3.9 50.5 1.0 CG A:BFD409 3.9 50.5 1.0 O A:GLY180 4.0 59.0 1.0 OD2 A:BFD409 4.0 50.5 1.0 C A:GLY180 4.0 59.0 1.0 N A:GLY180 4.2 59.0 1.0 CA A:THR411 4.2 50.5 1.0 CA A:THR674 4.2 52.1 1.0 O A:THR411 4.2 50.5 1.0 ND2 A:ASN819 4.2 50.5 1.0 CB A:THR674 4.3 52.1 1.0 N A:LYS410 4.3 50.5 1.0 C A:THR674 4.4 52.1 1.0 MG A:MG1100 4.5 45.8 1.0 CA A:GLY675 4.5 58.2 1.0 C A:LYS410 4.6 50.5 1.0 NZ A:LYS795 4.6 50.5 1.0 C A:THR411 4.7 50.5 1.0 CB A:LYS410 4.8 50.5 1.0 CA A:LYS410 4.8 50.5 1.0 N A:ASP676 4.8 68.5 1.0 C A:ASP179 4.9 61.6 1.0 CG2 A:THR411 5.0 50.5 1.0 C A:GLY675 5.0 58.2 1.0

H.Nakanishi, T.Nishizawa, K.Segawa, O.Nureki, Y.Fujiyoshi, S.Nagata, K.Abe. Transport Cycle of Plasma Membrane Flippase ATP11C By Cryo-Em. Cell Rep V. 32 08208 2020.
ISSN: ESSN 2211-1247
PubMed: 32997992
DOI: 10.1016/J.CELREP.2020.108208