Fluorine in PDB 7w7w: 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:

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

The binding sites of Fluorine atom in the Wt Transporter STATE1 (pdb code 7w7w). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Wt Transporter STATE1, PDB code: 7w7w:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 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:F2001 b:10.5 occ:1.00 F1 A:ALF2001 0.0 10.5 1.0 AL A:ALF2001 1.8 10.5 1.0 OG1 A:THR624 2.5 11.5 1.0 F3 A:ALF2001 2.5 10.5 1.0 F4 A:ALF2001 2.5 10.5 1.0 OD1 A:ASP351 2.6 11.8 1.0 OE2 A:GLU183 3.2 13.0 1.0 OG1 A:THR353 3.3 10.7 1.0 N A:THR353 3.3 10.7 1.0 CB A:THR624 3.5 11.5 1.0 F2 A:ALF2001 3.6 10.5 1.0 N A:GLY625 3.6 11.0 1.0 CG A:ASP351 3.7 11.8 1.0 CB A:THR353 3.7 10.7 1.0 CA A:THR624 3.8 11.5 1.0 N A:LYS352 3.8 9.9 1.0 O A:THR181 4.0 11.7 1.0 CB A:LYS352 4.1 9.9 1.0 CA A:THR353 4.1 10.7 1.0 CD A:GLU183 4.1 13.0 1.0 OD2 A:ASP351 4.2 11.8 1.0 C A:THR624 4.2 11.5 1.0 CA A:LYS352 4.2 9.9 1.0 C A:LYS352 4.3 9.9 1.0 MG A:MG2002 4.5 22.4 1.0 N A:ASP626 4.5 12.0 1.0 OE1 A:GLU183 4.6 13.0 1.0 O A:THR353 4.6 10.7 1.0 CA A:GLY625 4.6 11.0 1.0 C A:ASP351 4.6 11.8 1.0 CA A:GLY182 4.7 11.7 1.0 CG2 A:THR624 4.8 11.5 1.0 CB A:ASP351 4.9 11.8 1.0 O A:GLY182 4.9 11.7 1.0 C A:THR353 4.9 10.7 1.0 C A:GLY182 4.9 11.7 1.0 CA A:ASP351 5.0 11.8 1.0 CE A:LYS352 5.0 9.9 1.0 C A:GLY625 5.0 11.0 1.0 O A:ILE623 5.0 11.2 1.0

Fluorine binding site 2 out of 4 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:F2001 b:10.5 occ:1.00 F2 A:ALF2001 0.0 10.5 1.0 AL A:ALF2001 1.8 10.5 1.0 ND2 A:ASN705 2.5 9.9 1.0 F3 A:ALF2001 2.5 10.5 1.0 F4 A:ALF2001 2.5 10.5 1.0 OD1 A:ASP351 2.6 11.8 1.0 CG A:ASP351 3.0 11.8 1.0 OD2 A:ASP351 3.0 11.8 1.0 OD1 A:ASN705 3.2 9.9 1.0 CG A:ASN705 3.2 9.9 1.0 OD1 A:ASP706 3.3 9.5 1.0 MG A:MG2002 3.3 22.4 1.0 OD2 A:ASP706 3.4 9.5 1.0 NZ A:LYS683 3.5 11.6 1.0 F1 A:ALF2001 3.6 10.5 1.0 CA A:GLY182 3.6 11.7 1.0 CG A:ASP706 3.7 9.5 1.0 O A:THR181 4.0 11.7 1.0 CB A:ASP351 4.2 11.8 1.0 N A:GLY182 4.2 11.7 1.0 C A:THR181 4.4 11.7 1.0 CB A:ASN705 4.6 9.9 1.0 C A:GLY182 4.7 11.7 1.0 CE A:LYS683 4.8 11.6 1.0 OD1 A:ASP702 4.9 10.0 1.0 O A:THR353 4.9 10.7 1.0 O A:GLY182 4.9 11.7 1.0 N A:ASP706 5.0 9.5 1.0

Fluorine binding site 3 out of 4 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:F2001 b:10.5 occ:1.00 F3 A:ALF2001 0.0 10.5 1.0 AL A:ALF2001 1.8 10.5 1.0 MG A:MG2002 2.1 22.4 1.0 F2 A:ALF2001 2.5 10.5 1.0 F1 A:ALF2001 2.5 10.5 1.0 OD1 A:ASP351 2.6 11.8 1.0 OD2 A:ASP351 2.6 11.8 1.0 O A:THR353 2.9 10.7 1.0 CG A:ASP351 2.9 11.8 1.0 CB A:THR353 3.2 10.7 1.0 O A:GLY182 3.4 11.7 1.0 N A:THR353 3.5 10.7 1.0 CA A:GLY182 3.5 11.7 1.0 F4 A:ALF2001 3.6 10.5 1.0 C A:THR353 3.6 10.7 1.0 CA A:THR353 3.6 10.7 1.0 C A:GLY182 3.8 11.7 1.0 OG1 A:THR353 3.8 10.7 1.0 OD1 A:ASP702 4.1 10.0 1.0 O A:THR181 4.4 11.7 1.0 CG2 A:THR353 4.4 10.7 1.0 CB A:ASP351 4.5 11.8 1.0 OE2 A:GLU183 4.5 13.0 1.0 C A:LYS352 4.6 9.9 1.0 N A:GLY182 4.7 11.7 1.0 N A:LYS352 4.7 9.9 1.0 ND2 A:ASN705 4.8 9.9 1.0 OD2 A:ASP706 4.8 9.5 1.0 N A:GLY354 4.9 11.3 1.0 CD A:GLU183 4.9 13.0 1.0 N A:GLU183 4.9 13.0 1.0 C A:ASP351 4.9 11.8 1.0 C A:THR181 5.0 11.7 1.0 OG1 A:THR624 5.0 11.5 1.0

Fluorine binding site 4 out of 4 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 4 of Wt Transporter STATE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:10.5 occ:1.00 F4 A:ALF2001 0.0 10.5 1.0 AL A:ALF2001 1.8 10.5 1.0 F1 A:ALF2001 2.5 10.5 1.0 F2 A:ALF2001 2.5 10.5 1.0 OD1 A:ASP351 2.6 11.8 1.0 NZ A:LYS683 2.7 11.6 1.0 N A:GLY625 2.8 11.0 1.0 ND2 A:ASN705 3.2 9.9 1.0 CA A:THR624 3.2 11.5 1.0 C A:THR624 3.4 11.5 1.0 F3 A:ALF2001 3.6 10.5 1.0 O A:THR181 3.6 11.7 1.0 CE A:LYS683 3.6 11.6 1.0 OG1 A:THR624 3.6 11.5 1.0 CG A:ASP351 3.7 11.8 1.0 CA A:GLY625 3.8 11.0 1.0 CB A:THR624 4.0 11.5 1.0 O A:ILE623 4.1 11.2 1.0 OD1 A:ASP706 4.2 9.5 1.0 N A:THR624 4.3 11.5 1.0 CG A:ASN705 4.4 9.9 1.0 OD2 A:ASP351 4.4 11.8 1.0 C A:THR181 4.5 11.7 1.0 O A:THR624 4.5 11.5 1.0 CB A:ASP351 4.6 11.8 1.0 C A:ILE623 4.6 11.2 1.0 CA A:GLY182 4.8 11.7 1.0 OE2 A:GLU183 4.9 13.0 1.0 C A:GLY625 4.9 11.0 1.0 N A:LYS352 4.9 9.9 1.0 CA A:ASP351 5.0 11.8 1.0 N A:GLY182 5.0 11.7 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.