Fluorine in PDB 6k7k: Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1-Adp- Pi State)

All present enzymatic activity of Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1-Adp- Pi State):
7.6.2.1;

The structure of Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1-Adp- Pi State) also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1-Adp- Pi State) (pdb code 6k7k). 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 (E1-Adp- Pi State), PDB code: 6k7k:
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 (E1-Adp- Pi 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 (E1-Adp- Pi State) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:65.5 occ:1.00 F1 A:ALF1202 0.0 65.5 1.0 AL A:ALF1202 1.8 65.5 1.0 OD1 A:ASN789 2.3 61.5 1.0 F3 A:ALF1202 2.5 65.5 1.0 F4 A:ALF1202 2.6 65.5 1.0 OD1 A:ASP409 2.8 57.9 1.0 MG A:MG1204 2.9 60.6 1.0 OD2 A:ASP790 3.2 55.6 1.0 CG A:ASN789 3.2 61.5 1.0 ND2 A:ASN789 3.5 61.5 1.0 CG A:ASP409 3.5 57.9 1.0 F2 A:ALF1202 3.6 65.5 1.0 OD2 A:ASP409 3.6 57.9 1.0 O1B A:ADP1201 3.7 0.8 1.0 CG A:ASP790 3.9 55.6 1.0 CA A:GLY787 4.0 56.7 1.0 OD1 A:ASP790 4.0 55.6 1.0 N A:GLY787 4.1 56.7 1.0 OD1 A:ASP786 4.1 53.8 1.0 O A:THR411 4.4 62.8 1.0 OE2 A:GLU807 4.4 69.4 1.0 OE1 A:GLU807 4.5 69.4 1.0 O2B A:ADP1201 4.6 0.8 1.0 MG A:MG1203 4.6 78.1 1.0 CB A:ASN789 4.6 61.5 1.0 C A:GLY787 4.7 56.7 1.0 PB A:ADP1201 4.7 0.8 1.0 N A:ASN789 4.8 61.5 1.0 CD A:GLU807 4.8 69.4 1.0 CB A:ASP409 4.8 57.9 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1-Adp- Pi 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 (E1-Adp- Pi State) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:65.5 occ:1.00 F2 A:ALF1202 0.0 65.5 1.0 AL A:ALF1202 1.8 65.5 1.0 O1B A:ADP1201 2.3 0.8 1.0 F4 A:ALF1202 2.5 65.5 1.0 OD2 A:ASP409 2.5 57.9 1.0 F3 A:ALF1202 2.6 65.5 1.0 CG A:ASP409 3.3 57.9 1.0 OD1 A:ASP409 3.5 57.9 1.0 PB A:ADP1201 3.6 0.8 1.0 O3A A:ADP1201 3.6 0.8 1.0 F1 A:ALF1202 3.6 65.5 1.0 N A:THR411 3.7 62.8 1.0 CB A:THR411 3.9 62.8 1.0 N A:LYS410 4.1 66.2 1.0 OG1 A:THR670 4.1 77.9 1.0 N A:GLY671 4.1 89.5 1.0 O A:THR411 4.3 62.8 1.0 CA A:THR411 4.3 62.8 1.0 O2B A:ADP1201 4.4 0.8 1.0 OG1 A:THR411 4.4 62.8 1.0 CA A:THR670 4.4 77.9 1.0 MG A:MG1204 4.5 60.6 1.0 CB A:THR670 4.6 77.9 1.0 O3B A:ADP1201 4.7 0.8 1.0 CB A:ASP409 4.7 57.9 1.0 C A:LYS410 4.7 66.2 1.0 NZ A:LYS766 4.7 66.6 1.0 CA A:LYS410 4.7 66.2 1.0 C A:THR411 4.8 62.8 1.0 CB A:LYS410 4.8 66.2 1.0 C A:THR670 4.8 77.9 1.0 ND2 A:ASN789 4.9 61.5 1.0 CA A:ASP409 5.0 57.9 1.0 PA A:ADP1201 5.0 0.8 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1-Adp- Pi 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 (E1-Adp- Pi State) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:65.5 occ:1.00 F3 A:ALF1202 0.0 65.5 1.0 AL A:ALF1202 1.8 65.5 1.0 MG A:MG1204 2.0 60.6 1.0 O A:THR411 2.2 62.8 1.0 F1 A:ALF1202 2.5 65.5 1.0 OD1 A:ASP409 2.5 57.9 1.0 F2 A:ALF1202 2.6 65.5 1.0 C A:THR411 3.2 62.8 1.0 CG A:ASP409 3.3 57.9 1.0 CB A:THR411 3.4 62.8 1.0 OD2 A:ASP409 3.5 57.9 1.0 CA A:THR411 3.6 62.8 1.0 F4 A:ALF1202 3.6 65.5 1.0 N A:THR411 3.6 62.8 1.0 O1B A:ADP1201 3.8 0.8 1.0 CG2 A:THR411 3.9 62.8 1.0 OD1 A:ASP786 3.9 53.8 1.0 OE1 A:GLU807 4.2 69.4 1.0 N A:GLY412 4.4 57.8 1.0 OG1 A:THR411 4.5 62.8 1.0 CB A:ASP409 4.7 57.9 1.0 OE2 A:GLU807 4.7 69.4 1.0 O2B A:ADP1201 4.7 0.8 1.0 PB A:ADP1201 4.7 0.8 1.0 OD2 A:ASP790 4.7 55.6 1.0 C A:LYS410 4.7 66.2 1.0 OD1 A:ASN789 4.7 61.5 1.0 O3A A:ADP1201 4.8 0.8 1.0 N A:LYS410 4.8 66.2 1.0 CD A:GLU807 4.9 69.4 1.0 CA A:GLY412 5.0 57.8 1.0 CG A:ASP786 5.0 53.8 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of the Human P4-Type Flippase ATP8A1-CDC50 (E1-Adp- Pi 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 (E1-Adp- Pi State) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:65.5 occ:1.00 F4 A:ALF1202 0.0 65.5 1.0 AL A:ALF1202 1.8 65.5 1.0 O1B A:ADP1201 2.3 0.8 1.0 F2 A:ALF1202 2.5 65.5 1.0 F1 A:ALF1202 2.6 65.5 1.0 OD2 A:ASP409 2.7 57.9 1.0 OD1 A:ASN789 3.0 61.5 1.0 ND2 A:ASN789 3.0 61.5 1.0 CG A:ASN789 3.2 61.5 1.0 NZ A:LYS766 3.3 66.6 1.0 CG A:ASP409 3.5 57.9 1.0 F3 A:ALF1202 3.6 65.5 1.0 OD1 A:ASP409 3.6 57.9 1.0 CE A:LYS766 3.7 66.6 1.0 PB A:ADP1201 3.7 0.8 1.0 OD1 A:ASP790 3.8 55.6 1.0 OD2 A:ASP790 4.4 55.6 1.0 O2B A:ADP1201 4.4 0.8 1.0 O3B A:ADP1201 4.4 0.8 1.0 CG A:ASP790 4.5 55.6 1.0 CB A:ASN789 4.5 61.5 1.0 N A:GLY671 4.6 89.5 1.0 O3A A:ADP1201 4.7 0.8 1.0 CB A:ASP409 4.8 57.9 1.0 O A:LEU669 4.8 65.5 1.0 CD A:LYS766 4.9 66.6 1.0 O A:ASN789 5.0 61.5 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