Fluorine in PDB 6k7l: Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2)

All present enzymatic activity of Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2):
7.6.2.1;

The structure of Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2) (pdb code 6k7l). 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 the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2), PDB code: 6k7l:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2)


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 the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1801 b:61.4 occ:1.00 F1 A:BEF1801 0.0 61.4 1.0 BE A:BEF1801 1.8 61.4 1.0 OD1 A:ASP409 2.5 57.4 1.0 F3 A:BEF1801 2.9 61.4 1.0 F2 A:BEF1801 2.9 61.4 1.0 N A:THR411 3.1 61.0 1.0 N A:LYS410 3.3 64.2 1.0 CG2 A:THR670 3.4 73.1 1.0 N A:GLY671 3.4 75.4 1.0 CB A:LYS410 3.6 64.2 1.0 CG A:ASP409 3.6 57.4 1.0 CA A:THR670 3.7 73.1 1.0 CA A:LYS410 3.7 64.2 1.0 OG1 A:THR411 3.8 61.0 1.0 CB A:THR411 3.8 61.0 1.0 C A:LYS410 3.9 64.2 1.0 CA A:THR411 4.0 61.0 1.0 C A:THR670 4.1 73.1 1.0 OD2 A:ASP409 4.1 57.4 1.0 CB A:THR670 4.2 73.1 1.0 CA A:GLY190 4.3 78.4 1.0 N A:ASP672 4.4 84.6 1.0 C A:ASP409 4.4 57.4 1.0 O A:GLY190 4.4 78.4 1.0 O A:LEU669 4.4 66.6 1.0 CA A:GLY671 4.4 75.4 1.0 O A:THR411 4.6 61.0 1.0 CG A:LYS410 4.6 64.2 1.0 CA A:ASP409 4.6 57.4 1.0 CE A:LYS410 4.7 64.2 1.0 CB A:ASP409 4.7 57.4 1.0 OG1 A:THR670 4.8 73.1 1.0 MG A:MG1802 4.8 56.1 1.0 NZ A:LYS410 4.8 64.2 1.0 C A:THR411 4.8 61.0 1.0 N A:THR670 4.9 73.1 1.0 C A:GLY671 4.9 75.4 1.0 C A:GLY190 4.9 78.4 1.0 CB A:ASP672 4.9 84.6 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2)


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 the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1801 b:61.4 occ:1.00 F2 A:BEF1801 0.0 61.4 1.0 BE A:BEF1801 1.8 61.4 1.0 ND2 A:ASN789 2.5 63.2 1.0 OD1 A:ASP409 2.8 57.4 1.0 F3 A:BEF1801 2.9 61.4 1.0 F1 A:BEF1801 2.9 61.4 1.0 N A:GLY671 2.9 75.4 1.0 NZ A:LYS766 3.3 67.0 1.0 CA A:GLY671 3.3 75.4 1.0 CA A:GLY190 3.5 78.4 1.0 CG A:ASN789 3.7 63.2 1.0 CG A:ASP409 3.7 57.4 1.0 N A:GLY190 3.9 78.4 1.0 C A:THR670 4.0 73.1 1.0 O A:ASP189 4.0 80.4 1.0 OD2 A:ASP409 4.1 57.4 1.0 CE A:LYS766 4.1 67.0 1.0 C A:ASP189 4.1 80.4 1.0 OD1 A:ASN789 4.2 63.2 1.0 C A:GLY671 4.4 75.4 1.0 CA A:THR670 4.5 73.1 1.0 O A:LEU669 4.5 66.6 1.0 MG A:MG1802 4.5 56.1 1.0 N A:ASP672 4.7 84.6 1.0 C A:GLY190 4.7 78.4 1.0 OD1 A:ASP790 4.8 58.4 1.0 O A:GLY190 4.8 78.4 1.0 CB A:ASN789 4.9 63.2 1.0 OD2 A:ASP790 4.9 58.4 1.0 CB A:ASP409 5.0 57.4 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2)


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 the Human P4-Type Flippase ATP8A1-CDC50 (E2P State CLASS2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1801 b:61.4 occ:1.00 F3 A:BEF1801 0.0 61.4 1.0 BE A:BEF1801 1.8 61.4 1.0 MG A:MG1802 2.0 56.1 1.0 OD2 A:ASP409 2.2 57.4 1.0 OD1 A:ASP409 2.4 57.4 1.0 CG A:ASP409 2.6 57.4 1.0 O A:THR411 2.7 61.0 1.0 F2 A:BEF1801 2.9 61.4 1.0 F1 A:BEF1801 2.9 61.4 1.0 CB A:THR411 3.5 61.0 1.0 N A:THR411 3.5 61.0 1.0 C A:THR411 3.6 61.0 1.0 CA A:GLY190 3.6 78.4 1.0 CA A:THR411 3.7 61.0 1.0 OD1 A:ASP786 3.9 56.2 1.0 CB A:ASP409 4.1 57.4 1.0 ND2 A:ASN789 4.2 63.2 1.0 O A:SER186 4.4 81.3 1.0 N A:GLY190 4.4 78.4 1.0 N A:LYS410 4.4 64.2 1.0 CG2 A:THR411 4.4 61.0 1.0 OG1 A:THR411 4.4 61.0 1.0 OD1 A:ASN789 4.5 63.2 1.0 OD2 A:ASP790 4.5 58.4 1.0 C A:LYS410 4.6 64.2 1.0 C A:GLY190 4.7 78.4 1.0 CG A:ASN789 4.8 63.2 1.0 N A:GLY412 4.9 55.0 1.0 O A:GLY190 4.9 78.4 1.0 CA A:ASP409 4.9 57.4 1.0

M.Hiraizumi, K.Yamashita, T.Nishizawa, O.Nureki. Cryo-Em Structures Capture the Transport Cycle of the P4-Atpase Flippase. Science V. 365 1149 2019.
ISSN: ESSN 1095-9203
PubMed: 31416931
DOI: 10.1126/SCIENCE.AAY3353