Fluorine in PDB 9gsg: Cryo-Em Structure of Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4)

All present enzymatic activity of Cryo-Em Structure of Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4):
7.2.2.10;

The structure of Cryo-Em Structure of Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4) 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 Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4) (pdb code 9gsg). 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 Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4), PDB code: 9gsg:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4)


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 Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1301 b:50.7 occ:1.00 F1 A:ALF1301 0.0 50.7 1.0 AL A:ALF1301 1.8 50.7 1.0 N A:GLY687 2.3 47.3 1.0 F4 A:ALF1301 2.5 50.7 1.0 F3 A:ALF1301 2.5 50.7 1.0 OG1 A:THR686 2.6 55.5 1.0 CA A:THR686 3.1 55.5 1.0 C A:THR686 3.1 55.5 1.0 CA A:GLY687 3.2 47.3 1.0 OD1 A:ASP454 3.3 50.3 1.0 CB A:THR686 3.4 55.5 1.0 F2 A:ALF1301 3.6 50.7 1.0 N A:ASP688 3.8 112.9 1.0 O A:THR242 3.8 50.3 1.0 C A:GLY687 3.9 47.3 1.0 OE2 A:GLU244 3.9 73.6 1.0 O A:THR686 4.3 55.5 1.0 N A:THR686 4.4 55.5 1.0 CG A:ASP454 4.5 50.3 1.0 O A:VAL685 4.6 50.3 1.0 CG2 A:THR686 4.6 55.5 1.0 N A:LYS455 4.7 50.3 1.0 NZ A:LYS751 4.7 50.3 1.0 N A:THR456 4.9 50.3 1.0 CB A:LYS455 4.9 50.3 1.0 C A:VAL685 5.0 50.3 1.0 O A:GLY687 5.0 47.3 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4)


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 Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1301 b:50.7 occ:1.00 F2 A:ALF1301 0.0 50.7 1.0 AL A:ALF1301 1.8 50.7 1.0 MG A:MG1302 2.0 50.3 1.0 F3 A:ALF1301 2.5 50.7 1.0 F4 A:ALF1301 2.5 50.7 1.0 OD1 A:ASP454 2.6 50.3 1.0 OD2 A:ASP454 2.8 50.3 1.0 CG A:ASP454 3.1 50.3 1.0 O A:THR456 3.5 50.3 1.0 F1 A:ALF1301 3.6 50.7 1.0 CA A:GLY243 3.9 50.3 1.0 O A:GLY243 3.9 50.3 1.0 CB A:THR456 4.2 50.3 1.0 C A:GLY243 4.2 50.3 1.0 N A:THR456 4.2 50.3 1.0 C A:THR456 4.4 50.3 1.0 OD1 A:ASP775 4.4 50.3 1.0 O A:THR242 4.4 50.3 1.0 CA A:THR456 4.5 50.3 1.0 CB A:ASP454 4.5 50.3 1.0 OD2 A:ASP779 4.5 50.3 1.0 OD1 A:ASN778 4.7 50.3 1.0 OE2 A:GLU244 4.7 73.6 1.0 ND2 A:ASN778 4.8 50.3 1.0 N A:GLY243 4.9 50.3 1.0 OG1 A:THR456 5.0 50.3 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4)


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 Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1301 b:50.7 occ:1.00 F3 A:ALF1301 0.0 50.7 1.0 AL A:ALF1301 1.8 50.7 1.0 OD1 A:ASP454 2.0 50.3 1.0 F1 A:ALF1301 2.5 50.7 1.0 F2 A:ALF1301 2.5 50.7 1.0 CG A:ASP454 2.9 50.3 1.0 NZ A:LYS751 3.1 50.3 1.0 F4 A:ALF1301 3.6 50.7 1.0 OD2 A:ASP454 3.6 50.3 1.0 OD1 A:ASP779 3.7 50.3 1.0 CB A:ASP454 3.9 50.3 1.0 ND2 A:ASN778 3.9 50.3 1.0 CE A:LYS751 4.0 50.3 1.0 N A:GLY687 4.1 47.3 1.0 O A:VAL685 4.2 50.3 1.0 MG A:MG1302 4.2 50.3 1.0 O A:THR242 4.3 50.3 1.0 OD2 A:ASP779 4.4 50.3 1.0 CA A:THR686 4.4 55.5 1.0 OD1 A:ASN778 4.4 50.3 1.0 CG A:ASP779 4.5 50.3 1.0 CA A:ASP454 4.5 50.3 1.0 CG A:ASN778 4.5 50.3 1.0 C A:THR686 4.7 55.5 1.0 N A:LYS455 4.7 50.3 1.0 OG1 A:THR686 4.8 55.5 1.0 CA A:GLY687 5.0 47.3 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4)


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 Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1301 b:50.7 occ:1.00 F4 A:ALF1301 0.0 50.7 1.0 AL A:ALF1301 1.8 50.7 1.0 OE2 A:GLU244 2.3 73.6 1.0 F1 A:ALF1301 2.5 50.7 1.0 F2 A:ALF1301 2.5 50.7 1.0 CB A:THR456 3.1 50.3 1.0 OG1 A:THR456 3.2 50.3 1.0 CD A:GLU244 3.5 73.6 1.0 F3 A:ALF1301 3.6 50.7 1.0 O A:GLY243 3.6 50.3 1.0 OD1 A:ASP454 3.7 50.3 1.0 N A:THR456 3.8 50.3 1.0 C A:GLY243 3.9 50.3 1.0 O A:THR242 3.9 50.3 1.0 MG A:MG1302 4.0 50.3 1.0 CA A:THR456 4.0 50.3 1.0 OG1 A:THR686 4.1 55.5 1.0 CA A:GLY243 4.1 50.3 1.0 CG2 A:THR456 4.2 50.3 1.0 CG A:GLU244 4.3 73.6 1.0 OE1 A:GLU244 4.4 73.6 1.0 O A:THR456 4.4 50.3 1.0 N A:GLU244 4.5 73.6 1.0 N A:GLY687 4.5 47.3 1.0 CG A:ASP454 4.7 50.3 1.0 C A:THR456 4.7 50.3 1.0 OD2 A:ASP454 4.8 50.3 1.0 C A:THR242 4.8 50.3 1.0 N A:ASP688 4.9 112.9 1.0 C A:LYS455 5.0 50.3 1.0 N A:GLY243 5.0 50.3 1.0

D.Vinayagam, S.Raunser, O.Sistel, U.Schulte, C.E.Constantin, D.Prumbaum, G.Zolles, B.Fakler. Cryo-Em Structure of Mouse Pmca-Nptn Complex Captured in E2-Pi State (ALF4) To Be Published.