Fluorine in PDB 7w7t: Wt Transporter STATE1

All present enzymatic activity of Wt Transporter STATE1:
7.2.2.10;

The structure of Wt Transporter STATE1 also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Magnesium	(Mg)	1 atom

The binding sites of Fluorine atom in the Wt Transporter STATE1 (pdb code 7w7t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Wt Transporter STATE1, PDB code: 7w7t:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Wt Transporter STATE1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Wt Transporter STATE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F4003 b:17.5 occ:1.00 F1 A:BEF4003 0.0 17.5 1.0 BE A:BEF4003 1.5 17.5 1.0 OG1 A:THR624 2.2 20.8 1.0 F3 A:BEF4003 2.5 17.5 1.0 F2 A:BEF4003 2.6 17.5 1.0 OD1 A:ASP351 2.7 16.6 1.0 CB A:THR624 3.3 20.8 1.0 N A:THR353 3.5 17.2 1.0 N A:GLY625 3.6 25.4 1.0 OG1 A:THR353 3.7 17.2 1.0 CB A:THR353 3.7 17.2 1.0 CA A:THR624 3.7 20.8 1.0 CG A:ASP351 3.7 16.6 1.0 N A:LYS352 4.1 18.2 1.0 CA A:THR353 4.1 17.2 1.0 C A:THR624 4.2 20.8 1.0 OD2 A:ASP351 4.2 16.6 1.0 MG A:MG4004 4.2 13.9 1.0 O A:THR353 4.2 17.2 1.0 CB A:LYS352 4.4 18.2 1.0 C A:LYS352 4.5 18.2 1.0 CG2 A:THR624 4.5 20.8 1.0 CA A:GLY625 4.6 25.4 1.0 CA A:LYS352 4.6 18.2 1.0 N A:ASP626 4.6 25.6 1.0 C A:THR353 4.7 17.2 1.0 C A:ASP351 4.7 16.6 1.0 NZ A:LYS683 4.9 22.1 1.0 C A:GLY625 4.9 25.4 1.0 CB A:ASP351 4.9 16.6 1.0 CA A:ASP351 5.0 16.6 1.0

Fluorine binding site 2 out of 3 in the Wt Transporter STATE1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Wt Transporter STATE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F4003 b:17.5 occ:1.00 F2 A:BEF4003 0.0 17.5 1.0 BE A:BEF4003 1.6 17.5 1.0 F3 A:BEF4003 2.5 17.5 1.0 F1 A:BEF4003 2.6 17.5 1.0 NZ A:LYS683 2.6 22.1 1.0 OD1 A:ASP351 2.7 16.6 1.0 N A:GLY625 3.4 25.4 1.0 OD1 A:ASP706 3.5 21.1 1.0 CG A:ASP351 3.6 16.6 1.0 CE A:LYS683 3.9 22.1 1.0 OG1 A:THR624 3.9 20.8 1.0 CA A:THR624 4.0 20.8 1.0 OD2 A:ASP351 4.0 16.6 1.0 C A:THR624 4.1 20.8 1.0 CB A:ASN705 4.1 22.7 1.0 CA A:GLY625 4.2 25.4 1.0 OD2 A:ASP706 4.3 21.1 1.0 CG A:ASP706 4.3 21.1 1.0 MG A:MG4004 4.4 13.9 1.0 CB A:THR624 4.5 20.8 1.0 OD1 A:ASN705 4.7 22.7 1.0 CG A:ASN705 4.7 22.7 1.0 O A:ILE623 4.8 17.9 1.0 CB A:ASP351 4.9 16.6 1.0

Fluorine binding site 3 out of 3 in the Wt Transporter STATE1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Wt Transporter STATE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F4003 b:17.5 occ:1.00 F3 A:BEF4003 0.0 17.5 1.0 BE A:BEF4003 1.5 17.5 1.0 MG A:MG4004 2.1 13.9 1.0 F2 A:BEF4003 2.5 17.5 1.0 F1 A:BEF4003 2.5 17.5 1.0 OD1 A:ASP351 2.7 16.6 1.0 OD2 A:ASP351 2.8 16.6 1.0 CG A:ASP351 3.1 16.6 1.0 O A:THR353 3.2 17.2 1.0 OD1 A:ASP706 4.0 21.1 1.0 CB A:THR353 4.0 17.2 1.0 C A:THR353 4.2 17.2 1.0 N A:THR353 4.4 17.2 1.0 CA A:THR353 4.4 17.2 1.0 CB A:ASP351 4.6 16.6 1.0 OG1 A:THR624 4.6 20.8 1.0 OG1 A:THR353 4.8 17.2 1.0 NZ A:LYS683 4.9 22.1 1.0 OD1 A:ASN705 4.9 22.7 1.0 CG2 A:THR353 5.0 17.2 1.0

Y.Zhang, S.Watanabe, A.Tsutsumi, H.Kadokura, K.Nagata, M.Kikkawa, K.Inaba. Cryo-Em Analysis Provides New Mechanistic Insight Into Atp Binding to CA2+ Pump SERCA2B To Be Published.