Fluorine in PDB 8iww: HSPCA1 in the CAE1P-Adp State

All present enzymatic activity of HSPCA1 in the CAE1P-Adp State:
7.2.2.10;

The structure of HSPCA1 in the CAE1P-Adp State also contains other interesting chemical elements:

Aluminium	(Al)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Fluorine atom in the HSPCA1 in the CAE1P-Adp State (pdb code 8iww). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the HSPCA1 in the CAE1P-Adp State, PDB code: 8iww:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the HSPCA1 in the CAE1P-Adp State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of HSPCA1 in the CAE1P-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:40.0 occ:1.00 F1 A:ALF1002 0.0 40.0 1.0 AL A:ALF1002 1.8 44.1 1.0 O1A A:ADP1001 2.5 42.1 1.0 F4 A:ALF1002 2.5 39.6 1.0 F3 A:ALF1002 2.6 39.2 1.0 PA A:ADP1001 3.0 46.7 1.0 O3A A:ADP1001 3.2 44.7 1.0 O2A A:ADP1001 3.4 47.9 1.0 F2 A:ALF1002 3.6 41.8 1.0 PB A:ADP1001 4.1 47.8 1.0 O1B A:ADP1001 4.1 47.4 1.0 O3B A:ADP1001 4.2 45.8 1.0 O5' A:ADP1001 4.6 43.3 1.0 OG1 A:THR352 5.0 32.3 1.0

Fluorine binding site 2 out of 4 in the HSPCA1 in the CAE1P-Adp State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of HSPCA1 in the CAE1P-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:41.8 occ:1.00 F2 A:ALF1002 0.0 41.8 1.0 AL A:ALF1002 1.8 44.1 1.0 F4 A:ALF1002 2.4 39.6 1.0 F3 A:ALF1002 2.6 39.2 1.0 O3B A:ADP1001 2.6 45.8 1.0 OG1 A:THR352 3.1 32.3 1.0 O A:THR570 3.5 31.1 1.0 F1 A:ALF1002 3.6 40.0 1.0 O3A A:ADP1001 3.7 44.7 1.0 PB A:ADP1001 3.7 47.8 1.0 CB A:ASP350 3.9 34.6 1.0 OD2 A:ASP350 4.3 34.6 1.0 N A:THR352 4.3 32.3 1.0 C A:THR570 4.3 31.1 1.0 CG A:ASP350 4.3 34.6 1.0 O A:ILE569 4.4 29.3 1.0 CB A:THR352 4.4 32.3 1.0 N A:LYS351 4.5 34.5 1.0 O1B A:ADP1001 4.5 47.4 1.0 CA A:THR570 4.6 31.1 1.0 O A:THR352 4.7 32.3 1.0 O2B A:ADP1001 4.9 45.4 1.0 CA A:ASP350 4.9 34.6 1.0 CA A:THR352 4.9 32.3 1.0 PA A:ADP1001 4.9 46.7 1.0

Fluorine binding site 3 out of 4 in the HSPCA1 in the CAE1P-Adp State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of HSPCA1 in the CAE1P-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:39.2 occ:1.00 F3 A:ALF1002 0.0 39.2 1.0 AL A:ALF1002 1.8 44.1 1.0 OG1 A:THR352 2.5 32.3 1.0 F1 A:ALF1002 2.6 40.0 1.0 F2 A:ALF1002 2.6 41.8 1.0 O3B A:ADP1001 3.2 45.8 1.0 F4 A:ALF1002 3.6 39.6 1.0 O1B A:ADP1001 3.7 47.4 1.0 CB A:THR352 3.8 32.3 1.0 PB A:ADP1001 3.9 47.8 1.0 O1A A:ADP1001 3.9 42.1 1.0 O3A A:ADP1001 4.0 44.7 1.0 PA A:ADP1001 4.5 46.7 1.0 CG2 A:THR352 4.5 32.3 1.0 O A:THR352 4.8 32.3 1.0 CA A:THR352 4.9 32.3 1.0

Fluorine binding site 4 out of 4 in the HSPCA1 in the CAE1P-Adp State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of HSPCA1 in the CAE1P-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:39.6 occ:1.00 F4 A:ALF1002 0.0 39.6 1.0 AL A:ALF1002 1.8 44.1 1.0 F2 A:ALF1002 2.4 41.8 1.0 F1 A:ALF1002 2.5 40.0 1.0 O3A A:ADP1001 3.1 44.7 1.0 F3 A:ALF1002 3.6 39.2 1.0 O A:THR570 3.6 31.1 1.0 O2A A:ADP1001 3.7 47.9 1.0 O3B A:ADP1001 3.8 45.8 1.0 PA A:ADP1001 3.8 46.7 1.0 PB A:ADP1001 4.1 47.8 1.0 O1A A:ADP1001 4.2 42.1 1.0 C A:THR570 4.4 31.1 1.0 O A:ILE569 4.9 29.3 1.0 OD2 A:ASP350 4.9 34.6 1.0 N A:GLY571 4.9 32.9 1.0 O1B A:ADP1001 4.9 47.4 1.0 CA A:GLY571 4.9 32.9 1.0

M.Wu, C.Wu, T.Song, K.Pan, Y.Wang, Z.Liu. Structure and Transport Mechanism of the Human Calcium Pump SPCA1. Cell Res. V. 33 533 2023.
ISSN: ISSN 1001-0602
PubMed: 37258749
DOI: 10.1038/S41422-023-00827-X