Fluorine in PDB 6k7n: Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P State)

All present enzymatic activity of Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P State):
7.6.2.1;

The structure of Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P State) also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P State) (pdb code 6k7n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P State), PDB code: 6k7n:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P 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 the Human P4-Type Flippase ATP8A1-CDC50 (E1P State) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1301 b:74.1 occ:1.00 F1 A:ALF1301 0.0 74.1 1.0 AL A:ALF1301 1.8 74.1 1.0 F3 A:ALF1301 2.5 74.1 1.0 F4 A:ALF1301 2.6 74.1 1.0 OD1 A:ASN789 3.2 69.6 1.0 OD2 A:ASP409 3.3 70.7 1.0 CB A:ASN789 3.3 69.6 1.0 OD1 A:ASP409 3.5 70.7 1.0 F2 A:ALF1301 3.6 74.1 1.0 NZ A:LYS766 3.6 79.6 1.0 CG A:ASN789 3.6 69.6 1.0 MG A:MG1303 3.6 67.8 1.0 CG A:ASP409 3.8 70.7 1.0 OD2 A:ASP790 4.1 62.2 1.0 OD1 A:ASP790 4.4 62.2 1.0 CG A:ASP790 4.6 62.2 1.0 CA A:ASN789 4.7 69.6 1.0 ND2 A:ASN789 4.9 69.6 1.0 CE A:LYS766 4.9 79.6 1.0 C A:ASN789 5.0 69.6 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P 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 the Human P4-Type Flippase ATP8A1-CDC50 (E1P State) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1301 b:74.1 occ:1.00 F2 A:ALF1301 0.0 74.1 1.0 AL A:ALF1301 1.8 74.1 1.0 F4 A:ALF1301 2.5 74.1 1.0 F3 A:ALF1301 2.5 74.1 1.0 N A:LYS410 2.9 85.0 1.0 N A:THR411 2.9 78.8 1.0 OD2 A:ASP409 2.9 70.7 1.0 CG A:ASP409 3.3 70.7 1.0 CB A:LYS410 3.4 85.0 1.0 CA A:LYS410 3.4 85.0 1.0 OD1 A:ASP409 3.5 70.7 1.0 F1 A:ALF1301 3.6 74.1 1.0 C A:LYS410 3.7 85.0 1.0 CB A:THR411 3.9 78.8 1.0 CA A:THR411 3.9 78.8 1.0 OG1 A:THR411 4.0 78.8 1.0 C A:ASP409 4.0 70.7 1.0 CG2 A:THR670 4.1 96.2 1.0 CB A:ASP409 4.3 70.7 1.0 CA A:ASP409 4.3 70.7 1.0 N A:GLY671 4.4 0.9 1.0 MG A:MG1303 4.4 67.8 1.0 CA A:THR670 4.4 96.2 1.0 O A:THR411 4.5 78.8 1.0 O A:LEU669 4.6 79.8 1.0 C A:THR411 4.7 78.8 1.0 CG A:LYS410 4.7 85.0 1.0 CB A:THR670 4.8 96.2 1.0 NZ A:LYS766 4.9 79.6 1.0 O A:LYS410 4.9 85.0 1.0 C A:THR670 4.9 96.2 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P 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 the Human P4-Type Flippase ATP8A1-CDC50 (E1P State) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1301 b:74.1 occ:1.00 F3 A:ALF1301 0.0 74.1 1.0 AL A:ALF1301 1.8 74.1 1.0 MG A:MG1303 2.0 67.8 1.0 OD1 A:ASP409 2.4 70.7 1.0 F1 A:ALF1301 2.5 74.1 1.0 F2 A:ALF1301 2.5 74.1 1.0 O A:THR411 3.0 78.8 1.0 CG A:ASP409 3.2 70.7 1.0 OD2 A:ASP409 3.3 70.7 1.0 CB A:THR411 3.3 78.8 1.0 N A:THR411 3.4 78.8 1.0 F4 A:ALF1301 3.6 74.1 1.0 CA A:THR411 3.7 78.8 1.0 C A:THR411 3.8 78.8 1.0 CG2 A:THR411 4.2 78.8 1.0 OG1 A:THR411 4.2 78.8 1.0 OD1 A:ASP786 4.3 64.5 1.0 N A:LYS410 4.4 85.0 1.0 CB A:ASP409 4.5 70.7 1.0 OD2 A:ASP790 4.5 62.2 1.0 C A:LYS410 4.6 85.0 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P State)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1P State) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1301 b:74.1 occ:1.00 F4 A:ALF1301 0.0 74.1 1.0 AL A:ALF1301 1.8 74.1 1.0 F2 A:ALF1301 2.5 74.1 1.0 F1 A:ALF1301 2.6 74.1 1.0 OD2 A:ASP409 2.8 70.7 1.0 NZ A:LYS766 3.0 79.6 1.0 N A:GLY671 3.0 0.9 1.0 F3 A:ALF1301 3.6 74.1 1.0 C A:THR670 3.6 96.2 1.0 CA A:THR670 3.6 96.2 1.0 CE A:LYS766 3.7 79.6 1.0 O A:LEU669 3.9 79.8 1.0 CG A:ASP409 3.9 70.7 1.0 CA A:GLY671 3.9 0.9 1.0 OD1 A:ASP409 4.3 70.7 1.0 N A:THR670 4.4 96.2 1.0 CG2 A:THR670 4.5 96.2 1.0 C A:LEU669 4.6 79.8 1.0 O A:THR670 4.6 96.2 1.0 CB A:THR670 4.7 96.2 1.0 N A:LYS410 4.7 85.0 1.0 OD1 A:ASP790 4.9 62.2 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