Fluorine in PDB 7n77: Cryo-Em Structure of ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like State

The structure of Cryo-Em Structure of ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like State also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Cryo-Em Structure of ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like State (pdb code 7n77). 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 ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like State, PDB code: 7n77:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like 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 ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:10.4 occ:1.00 F1 A:ALF1201 0.0 10.4 1.0 AL A:ALF1201 1.8 10.4 1.0 F3 A:ALF1201 2.5 10.4 1.0 F4 A:ALF1201 2.5 10.4 1.0 OD1 A:ASP508 2.6 10.6 1.0 N A:GLY746 2.6 10.8 1.0 NZ A:LYS854 2.9 13.4 1.0 OG1 A:THR745 3.3 9.3 1.0 CA A:THR745 3.3 9.3 1.0 C A:THR745 3.4 9.3 1.0 F2 A:ALF1201 3.6 10.4 1.0 CA A:GLY746 3.6 10.8 1.0 CG A:ASP508 3.8 10.6 1.0 CE A:LYS854 3.8 13.4 1.0 CB A:THR745 3.9 9.3 1.0 O A:VAL744 4.3 22.5 1.0 OD2 A:ASP508 4.4 10.6 1.0 C A:GLY746 4.4 10.8 1.0 O A:THR745 4.5 9.3 1.0 N A:THR745 4.5 9.3 1.0 N A:LYS509 4.6 6.8 1.0 N A:ASP747 4.6 7.7 1.0 ND2 A:ASN876 4.7 19.5 1.0 C A:VAL744 4.9 22.5 1.0 OD1 A:ASP877 4.9 15.5 1.0 CB A:ASP508 4.9 10.6 1.0 CA A:ASP508 4.9 10.6 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like 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 ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:10.4 occ:1.00 F2 A:ALF1201 0.0 10.4 1.0 AL A:ALF1201 1.8 10.4 1.0 MG A:MG1202 1.9 4.5 1.0 OD2 A:ASP508 2.1 10.6 1.0 F4 A:ALF1201 2.5 10.4 1.0 F3 A:ALF1201 2.5 10.4 1.0 OD1 A:ASP508 2.7 10.6 1.0 CG A:ASP508 2.7 10.6 1.0 O A:THR510 3.1 9.8 1.0 F1 A:ALF1201 3.6 10.4 1.0 CB A:THR510 4.0 9.8 1.0 C A:THR510 4.1 9.8 1.0 N A:THR510 4.1 9.8 1.0 CB A:ASP508 4.2 10.6 1.0 CA A:THR510 4.3 9.8 1.0 ND2 A:ASN876 4.3 19.5 1.0 OD1 A:ASP873 4.4 10.3 1.0 OD2 A:ASP877 4.5 15.5 1.0 N A:LYS509 4.8 6.8 1.0 NZ A:LYS854 4.8 13.4 1.0 CG2 A:THR510 4.9 9.8 1.0 OD1 A:ASP877 4.9 15.5 1.0 OG1 A:THR510 4.9 9.8 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like 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 ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:10.4 occ:1.00 F3 A:ALF1201 0.0 10.4 1.0 AL A:ALF1201 1.8 10.4 1.0 F1 A:ALF1201 2.5 10.4 1.0 F2 A:ALF1201 2.5 10.4 1.0 NZ A:LYS854 2.7 13.4 1.0 OD1 A:ASP508 2.7 10.6 1.0 CB A:ASN876 3.1 19.5 1.0 ND2 A:ASN876 3.2 19.5 1.0 CG A:ASP508 3.3 10.6 1.0 OD2 A:ASP508 3.3 10.6 1.0 OD1 A:ASP877 3.4 15.5 1.0 F4 A:ALF1201 3.6 10.4 1.0 CG A:ASN876 3.7 19.5 1.0 CE A:LYS854 3.8 13.4 1.0 MG A:MG1202 3.9 4.5 1.0 CG A:ASP877 4.0 15.5 1.0 OD2 A:ASP877 4.1 15.5 1.0 CA A:ASN876 4.3 19.5 1.0 CB A:ASP508 4.6 10.6 1.0 N A:ASP877 4.6 15.5 1.0 C A:ASN876 4.6 19.5 1.0 N A:ASN876 4.7 19.5 1.0 CD A:LYS854 4.9 13.4 1.0 N A:GLY746 4.9 10.8 1.0 OD1 A:ASN876 4.9 19.5 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like 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 ATP13A2 D458N/D962N Mutant in the Alf-Bound E1P- Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:10.4 occ:1.00 F4 A:ALF1201 0.0 10.4 1.0 AL A:ALF1201 1.8 10.4 1.0 F1 A:ALF1201 2.5 10.4 1.0 F2 A:ALF1201 2.5 10.4 1.0 OD1 A:ASP508 2.6 10.6 1.0 N A:THR510 2.9 9.8 1.0 CB A:THR510 3.3 9.8 1.0 CG A:ASP508 3.4 10.6 1.0 OG1 A:THR510 3.5 9.8 1.0 F3 A:ALF1201 3.6 10.4 1.0 N A:LYS509 3.6 6.8 1.0 CA A:THR510 3.6 9.8 1.0 OD2 A:ASP508 3.6 10.6 1.0 OG1 A:THR745 3.6 9.3 1.0 C A:LYS509 3.9 6.8 1.0 O A:THR510 4.0 9.8 1.0 MG A:MG1202 4.0 4.5 1.0 CA A:LYS509 4.0 6.8 1.0 CB A:LYS509 4.2 6.8 1.0 C A:THR510 4.3 9.8 1.0 N A:GLY746 4.5 10.8 1.0 CB A:THR745 4.6 9.3 1.0 CB A:ASP508 4.7 10.6 1.0 CG2 A:THR510 4.7 9.8 1.0 C A:ASP508 4.7 10.6 1.0 CA A:THR745 4.9 9.3 1.0 CA A:ASP508 4.9 10.6 1.0 NZ A:LYS854 5.0 13.4 1.0

S.I.Sim, S.Von Bulow, G.Hummer, E.Park. Structural Basis of Polyamine Transport By Human ATP13A2 (PARK9). Mol.Cell 2021.
ISSN: ISSN 1097-2765
PubMed: 34715013
DOI: 10.1016/J.MOLCEL.2021.08.017