Fluorine in PDB 7n73: Cryo-Em Structure of ATP13A2 in the Adp-Alf-Bound E1P-Adp-Like State

The structure of Cryo-Em Structure of ATP13A2 in the Adp-Alf-Bound E1P-Adp-Like 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 ATP13A2 in the Adp-Alf-Bound E1P-Adp-Like State (pdb code 7n73). 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 in the Adp-Alf-Bound E1P-Adp-Like State, PDB code: 7n73:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of ATP13A2 in the Adp-Alf-Bound E1P-Adp-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 in the Adp-Alf-Bound E1P-Adp-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:64.6 occ:1.00 F1 A:ALF1202 0.0 64.6 1.0 AL A:ALF1202 1.8 64.6 1.0 OG1 A:THR745 2.1 53.9 1.0 N A:GLY746 2.5 53.1 1.0 F4 A:ALF1202 2.5 64.6 1.0 F3 A:ALF1202 2.5 64.6 1.0 CA A:THR745 2.6 53.9 1.0 OD1 A:ASP508 2.7 58.0 1.0 CB A:THR745 2.7 53.9 1.0 C A:THR745 3.0 53.9 1.0 O1B A:ADP1201 3.1 57.2 1.0 F2 A:ALF1202 3.6 64.6 1.0 NZ A:LYS854 3.6 59.3 1.0 CA A:GLY746 3.7 53.1 1.0 O3A A:ADP1201 3.7 57.2 1.0 N A:THR745 3.9 53.9 1.0 CG A:ASP508 3.9 58.0 1.0 PB A:ADP1201 4.0 57.2 1.0 O A:VAL744 4.1 53.2 1.0 N A:ASP747 4.1 52.4 1.0 CG2 A:THR745 4.1 53.9 1.0 N A:LYS509 4.2 53.1 1.0 O A:THR745 4.2 53.9 1.0 C A:GLY746 4.3 53.1 1.0 O2B A:ADP1201 4.4 57.2 1.0 C A:VAL744 4.4 53.2 1.0 OD2 A:ASP508 4.6 58.0 1.0 N A:THR510 4.6 56.9 1.0 CB A:LYS509 4.6 53.1 1.0 CE A:LYS854 4.6 59.3 1.0 CA A:LYS509 4.9 53.1 1.0 CA A:ASP508 5.0 58.0 1.0 CB A:ASP508 5.0 58.0 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of ATP13A2 in the Adp-Alf-Bound E1P-Adp-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 in the Adp-Alf-Bound E1P-Adp-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:64.6 occ:1.00 F2 A:ALF1202 0.0 64.6 1.0 AL A:ALF1202 1.8 64.6 1.0 MG A:MG1203 2.2 65.5 1.0 OD2 A:ASP508 2.3 58.0 1.0 F4 A:ALF1202 2.5 64.6 1.0 F3 A:ALF1202 2.6 64.6 1.0 O1B A:ADP1201 2.7 57.2 1.0 OD1 A:ASP508 2.7 58.0 1.0 CG A:ASP508 2.9 58.0 1.0 O A:THR510 2.9 56.9 1.0 CB A:THR510 3.4 56.9 1.0 N A:THR510 3.6 56.9 1.0 F1 A:ALF1202 3.6 64.6 1.0 C A:THR510 3.7 56.9 1.0 CA A:THR510 3.7 56.9 1.0 PB A:ADP1201 4.0 57.2 1.0 OG1 A:THR510 4.2 56.9 1.0 ND2 A:ASN876 4.3 71.0 1.0 O3A A:ADP1201 4.4 57.2 1.0 CB A:ASP508 4.4 58.0 1.0 CG2 A:THR510 4.4 56.9 1.0 O3B A:ADP1201 4.5 57.2 1.0 C A:LYS509 4.6 53.1 1.0 N A:LYS509 4.6 53.1 1.0 O2A A:ADP1201 4.7 57.2 1.0 MG A:MG1204 4.8 59.8 1.0 OD1 A:ASP873 4.8 69.2 1.0 OD1 A:ASN876 4.8 71.0 1.0 NZ A:LYS854 4.9 59.3 1.0 N A:GLY511 5.0 59.9 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of ATP13A2 in the Adp-Alf-Bound E1P-Adp-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 in the Adp-Alf-Bound E1P-Adp-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:64.6 occ:1.00 F3 A:ALF1202 0.0 64.6 1.0 AL A:ALF1202 1.8 64.6 1.0 F1 A:ALF1202 2.5 64.6 1.0 F2 A:ALF1202 2.6 64.6 1.0 OD1 A:ASP508 2.7 58.0 1.0 ND2 A:ASN876 2.8 71.0 1.0 NZ A:LYS854 2.9 59.3 1.0 O1B A:ADP1201 3.2 57.2 1.0 O3A A:ADP1201 3.3 57.2 1.0 CG A:ASP508 3.5 58.0 1.0 F4 A:ALF1202 3.6 64.6 1.0 CG A:ASN876 3.6 71.0 1.0 OD2 A:ASP508 3.7 58.0 1.0 OD1 A:ASN876 3.8 71.0 1.0 PB A:ADP1201 4.0 57.2 1.0 CE A:LYS854 4.0 59.3 1.0 PA A:ADP1201 4.0 57.2 1.0 O2A A:ADP1201 4.0 57.2 1.0 N A:GLY746 4.1 53.1 1.0 O1A A:ADP1201 4.2 57.2 1.0 OD1 A:ASP877 4.3 72.0 1.0 MG A:MG1203 4.4 65.5 1.0 OG1 A:THR745 4.6 53.9 1.0 CA A:THR745 4.7 53.9 1.0 O3B A:ADP1201 4.7 57.2 1.0 CB A:ASP508 4.8 58.0 1.0 CA A:GLY746 4.8 53.1 1.0 C A:THR745 4.9 53.9 1.0 CB A:ASN876 4.9 71.0 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of ATP13A2 in the Adp-Alf-Bound E1P-Adp-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 in the Adp-Alf-Bound E1P-Adp-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:64.6 occ:1.00 F4 A:ALF1202 0.0 64.6 1.0 AL A:ALF1202 1.8 64.6 1.0 N A:THR510 2.1 56.9 1.0 F1 A:ALF1202 2.5 64.6 1.0 F2 A:ALF1202 2.5 64.6 1.0 O1B A:ADP1201 2.6 57.2 1.0 OD1 A:ASP508 2.7 58.0 1.0 OG1 A:THR745 2.9 53.9 1.0 N A:LYS509 3.0 53.1 1.0 CB A:THR510 3.0 56.9 1.0 CA A:THR510 3.1 56.9 1.0 C A:LYS509 3.1 53.1 1.0 OG1 A:THR510 3.1 56.9 1.0 CA A:LYS509 3.2 53.1 1.0 CB A:LYS509 3.3 53.1 1.0 CG A:ASP508 3.4 58.0 1.0 F3 A:ALF1202 3.6 64.6 1.0 OD2 A:ASP508 3.6 58.0 1.0 O A:THR510 3.8 56.9 1.0 CB A:THR745 3.8 53.9 1.0 C A:THR510 3.9 56.9 1.0 PB A:ADP1201 4.0 57.2 1.0 C A:ASP508 4.0 58.0 1.0 MG A:MG1203 4.2 65.5 1.0 O A:LYS509 4.2 53.1 1.0 CG A:LYS509 4.3 53.1 1.0 CA A:THR745 4.5 53.9 1.0 CG2 A:THR510 4.5 56.9 1.0 CE A:LYS509 4.5 53.1 1.0 CB A:ASP508 4.5 58.0 1.0 O2B A:ADP1201 4.6 57.2 1.0 CA A:ASP508 4.6 58.0 1.0 O3A A:ADP1201 4.6 57.2 1.0 N A:GLY746 4.8 53.1 1.0 NZ A:LYS509 4.9 53.1 1.0 O A:ASP508 4.9 58.0 1.0 CD A:LYS509 4.9 53.1 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