Fluorine in PDB 7w7u: The 'CA2+-Unbound' BEF3- of SERCA2B

All present enzymatic activity of The 'CA2+-Unbound' BEF3- of SERCA2B:
7.2.2.10;

The structure of The 'CA2+-Unbound' BEF3- of SERCA2B also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the The 'CA2+-Unbound' BEF3- of SERCA2B (pdb code 7w7u). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The 'CA2+-Unbound' BEF3- of SERCA2B, PDB code: 7w7u:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the The 'CA2+-Unbound' BEF3- of SERCA2B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The 'CA2+-Unbound' BEF3- of SERCA2B within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:14.7 occ:1.00 F1 A:BEF2001 0.0 14.7 1.0 BE A:BEF2001 1.5 14.7 1.0 OG1 A:THR624 2.4 12.4 1.0 F3 A:BEF2001 2.5 14.7 1.0 F2 A:BEF2001 2.6 14.7 1.0 OD1 A:ASP351 2.7 12.8 1.0 N A:THR353 3.0 10.9 1.0 CB A:THR624 3.3 12.4 1.0 OG1 A:THR353 3.4 10.9 1.0 CB A:THR353 3.5 10.9 1.0 O A:GLY182 3.5 11.2 1.0 N A:LYS352 3.6 11.1 1.0 CG A:ASP351 3.7 12.8 1.0 CA A:THR624 3.7 12.4 1.0 CA A:THR353 3.8 10.9 1.0 N A:GLY625 3.8 12.1 1.0 CB A:LYS352 3.9 11.1 1.0 CA A:GLY182 4.0 11.2 1.0 C A:LYS352 4.0 11.1 1.0 CA A:LYS352 4.0 11.1 1.0 OD2 A:ASP351 4.1 12.8 1.0 C A:GLY182 4.2 11.2 1.0 O A:THR353 4.2 10.9 1.0 C A:THR624 4.3 12.4 1.0 MG A:MG2002 4.3 27.3 1.0 C A:THR353 4.5 10.9 1.0 C A:ASP351 4.6 12.8 1.0 CG2 A:THR624 4.7 12.4 1.0 N A:ASP626 4.7 12.6 1.0 O A:ILE623 4.8 12.3 1.0 CB A:ASP351 4.9 12.8 1.0 CA A:GLY625 4.9 12.1 1.0 CA A:ASP351 4.9 12.8 1.0 CG2 A:THR353 4.9 10.9 1.0 CE A:LYS352 4.9 11.1 1.0 N A:THR624 5.0 12.4 1.0

Fluorine binding site 2 out of 3 in the The 'CA2+-Unbound' BEF3- of SERCA2B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The 'CA2+-Unbound' BEF3- of SERCA2B within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:14.7 occ:1.00 F2 A:BEF2001 0.0 14.7 1.0 BE A:BEF2001 1.6 14.7 1.0 F3 A:BEF2001 2.5 14.7 1.0 F1 A:BEF2001 2.6 14.7 1.0 ND2 A:ASN705 2.7 10.6 1.0 OD1 A:ASP351 2.7 12.8 1.0 NZ A:LYS683 3.2 13.1 1.0 N A:GLY625 3.4 12.1 1.0 CG A:ASN705 3.5 10.6 1.0 CA A:GLY182 3.7 11.2 1.0 CG A:ASP351 3.8 12.8 1.0 OD1 A:ASN705 3.8 10.6 1.0 CE A:LYS683 4.0 13.1 1.0 CA A:THR624 4.0 12.4 1.0 OG1 A:THR624 4.0 12.4 1.0 OD1 A:ASP706 4.0 11.6 1.0 OD2 A:ASP351 4.2 12.8 1.0 C A:THR624 4.2 12.4 1.0 MG A:MG2002 4.2 27.3 1.0 CA A:GLY625 4.3 12.1 1.0 N A:GLY182 4.4 11.2 1.0 CB A:THR624 4.5 12.4 1.0 O A:THR181 4.6 12.9 1.0 O A:GLY182 4.7 11.2 1.0 C A:GLY182 4.7 11.2 1.0 CB A:ASN705 4.7 10.6 1.0 O A:ILE623 4.7 12.3 1.0 C A:THR181 4.8 12.9 1.0 CG A:ASP706 4.8 11.6 1.0 OD2 A:ASP706 4.9 11.6 1.0 CB A:ASP351 5.0 12.8 1.0

Fluorine binding site 3 out of 3 in the The 'CA2+-Unbound' BEF3- of SERCA2B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The 'CA2+-Unbound' BEF3- of SERCA2B within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:14.7 occ:1.00 F3 A:BEF2001 0.0 14.7 1.0 BE A:BEF2001 1.5 14.7 1.0 MG A:MG2002 2.1 27.3 1.0 F2 A:BEF2001 2.5 14.7 1.0 F1 A:BEF2001 2.5 14.7 1.0 OD1 A:ASP351 2.7 12.8 1.0 OD2 A:ASP351 2.8 12.8 1.0 O A:THR353 2.8 10.9 1.0 CG A:ASP351 3.1 12.8 1.0 CB A:THR353 3.5 10.9 1.0 CA A:GLY182 3.5 11.2 1.0 C A:THR353 3.7 10.9 1.0 N A:THR353 3.8 10.9 1.0 CA A:THR353 3.9 10.9 1.0 ND2 A:ASN705 3.9 10.6 1.0 OD1 A:ASP702 4.2 15.8 1.0 O A:SER178 4.2 11.5 1.0 O A:GLY182 4.3 11.2 1.0 OD1 A:ASN705 4.3 10.6 1.0 OG1 A:THR353 4.3 10.9 1.0 C A:GLY182 4.4 11.2 1.0 CG2 A:THR353 4.5 10.9 1.0 CG A:ASN705 4.6 10.6 1.0 OD2 A:ASP706 4.6 11.6 1.0 N A:GLY182 4.6 11.2 1.0 CB A:ASP351 4.6 12.8 1.0 OG1 A:THR624 4.9 12.4 1.0 N A:LYS352 4.9 11.1 1.0 OD1 A:ASP706 4.9 11.6 1.0 C A:LYS352 4.9 11.1 1.0 N A:GLY354 5.0 8.7 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.