Calcium in PDB 9dyo: BEST2 + Paba Closed State

The structure of BEST2 + Paba Closed State also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the BEST2 + Paba Closed State (pdb code 9dyo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the BEST2 + Paba Closed State, PDB code: 9dyo:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the BEST2 + Paba Closed State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of BEST2 + Paba Closed State within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca601 b:38.1 occ:1.00 O D:ASN296 2.3 42.6 1.0 O C:ALA10 2.4 47.3 1.0 OD2 D:ASP301 2.5 48.3 1.0 O D:GLN293 2.6 41.0 1.0 OD2 D:ASP304 2.7 48.9 1.0 OD1 D:ASP304 2.8 49.9 1.0 CG D:ASP304 3.1 49.2 1.0 C D:ASN296 3.4 40.3 1.0 CG D:ASP301 3.5 45.4 1.0 C C:ALA10 3.5 40.0 1.0 C D:GLN293 3.7 41.9 1.0 O C:VAL9 4.2 50.5 1.0 CA C:ASN11 4.2 37.8 1.0 CB D:ASP301 4.2 45.1 1.0 CA D:ASN296 4.2 29.4 1.0 CA D:GLN293 4.2 36.2 1.0 N D:ASN296 4.2 34.8 1.0 N C:ASN11 4.3 47.5 1.0 N D:GLY299 4.3 37.6 1.0 N D:PRO297 4.3 37.6 1.0 CB D:ASN296 4.3 26.0 1.0 CA D:PRO297 4.4 30.6 1.0 OD1 D:ASP301 4.4 51.7 1.0 CA D:GLY299 4.4 33.1 1.0 O D:GLU292 4.6 52.0 1.0 CA C:ALA10 4.6 36.6 1.0 CB D:ASP304 4.6 40.5 1.0 C C:ASN11 4.6 43.2 1.0 N C:ALA12 4.7 46.4 1.0 CG D:GLN293 4.7 39.1 1.0 C D:PRO297 4.8 29.3 1.0 N D:LEU294 4.8 39.8 1.0 N D:PHE298 4.9 33.8 1.0 OD1 C:ASN11 5.0 52.9 1.0 N D:ASP301 5.0 41.6 1.0

Calcium binding site 2 out of 5 in the BEST2 + Paba Closed State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of BEST2 + Paba Closed State within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca601 b:32.2 occ:1.00 OD2 C:ASP301 2.3 46.1 1.0 O C:ASN296 2.3 42.5 1.0 O B:ALA10 2.5 45.5 1.0 O C:GLN293 2.6 41.0 1.0 OD2 C:ASP304 2.7 44.7 1.0 OD1 C:ASP304 2.8 51.5 1.0 CG C:ASP304 3.1 47.3 1.0 C C:ASN296 3.4 38.7 1.0 CG C:ASP301 3.4 44.4 1.0 C B:ALA10 3.6 38.7 1.0 C C:GLN293 3.7 41.9 1.0 O B:VAL9 4.2 52.1 1.0 CB C:ASP301 4.2 43.3 1.0 CA C:GLN293 4.2 34.3 1.0 CA C:ASN296 4.2 28.5 1.0 N C:ASN296 4.3 34.5 1.0 N C:PRO297 4.3 37.6 1.0 CA C:PRO297 4.3 32.1 1.0 CA B:ASN11 4.3 39.5 1.0 N C:GLY299 4.3 33.5 1.0 OD1 C:ASP301 4.3 48.7 1.0 N B:ASN11 4.4 48.5 1.0 CB C:ASN296 4.4 25.5 1.0 CA C:GLY299 4.5 32.4 1.0 O C:GLU292 4.5 52.8 1.0 CA B:ALA10 4.6 35.0 1.0 CB C:ASP304 4.6 39.2 1.0 N B:ALA12 4.7 47.4 1.0 C C:PRO297 4.7 30.8 1.0 C B:ASN11 4.7 44.8 1.0 CG C:GLN293 4.8 40.2 1.0 N C:LEU294 4.8 41.6 1.0 N C:PHE298 4.8 33.3 1.0 N C:ASP301 4.9 39.0 1.0

Calcium binding site 3 out of 5 in the BEST2 + Paba Closed State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of BEST2 + Paba Closed State within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca601 b:29.0 occ:1.00 O E:ASN296 2.3 39.5 1.0 O D:ALA10 2.4 49.0 1.0 OD2 E:ASP301 2.5 48.3 1.0 OD2 E:ASP304 2.6 48.6 1.0 O E:GLN293 2.7 39.9 1.0 OD1 E:ASP304 2.9 50.7 1.0 CG E:ASP304 3.1 48.0 1.0 C E:ASN296 3.4 37.9 1.0 CG E:ASP301 3.5 45.9 1.0 C D:ALA10 3.6 40.3 1.0 C E:GLN293 3.7 43.9 1.0 CB E:ASP301 4.1 46.0 1.0 O D:VAL9 4.2 50.1 1.0 CA D:ASN11 4.2 38.5 1.0 CA E:GLN293 4.2 36.8 1.0 CA E:ASN296 4.2 27.6 1.0 N E:GLY299 4.2 35.4 1.0 N E:ASN296 4.3 33.3 1.0 N D:ASN11 4.3 47.8 1.0 N E:PRO297 4.3 35.5 1.0 OD1 E:ASP301 4.3 52.4 1.0 CB E:ASN296 4.3 25.9 1.0 CA E:PRO297 4.4 30.1 1.0 CA E:GLY299 4.4 32.4 1.0 O E:GLU292 4.6 52.8 1.0 CA D:ALA10 4.6 36.7 1.0 CB E:ASP304 4.6 38.9 1.0 N D:ALA12 4.6 47.8 1.0 C D:ASN11 4.6 44.2 1.0 CG E:GLN293 4.7 41.2 1.0 C E:PRO297 4.8 26.7 1.0 N E:LEU294 4.9 38.7 1.0 N E:ASP301 4.9 40.4 1.0 N E:PHE298 4.9 33.1 1.0 CG E:ASN296 5.0 30.9 1.0

Calcium binding site 4 out of 5 in the BEST2 + Paba Closed State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of BEST2 + Paba Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:30.8 occ:1.00 O A:ASN296 2.3 41.1 1.0 OD2 A:ASP301 2.3 46.9 1.0 O E:ALA10 2.5 45.4 1.0 OD2 A:ASP304 2.5 46.2 1.0 O A:GLN293 2.6 40.6 1.0 OD1 A:ASP304 2.8 47.1 1.0 CG A:ASP304 3.0 46.8 1.0 C A:ASN296 3.4 37.4 1.0 CG A:ASP301 3.5 44.2 1.0 C E:ALA10 3.6 39.7 1.0 C A:GLN293 3.7 39.5 1.0 CB A:ASP301 4.1 43.9 1.0 O E:VAL9 4.2 55.3 1.0 CA A:GLN293 4.2 34.6 1.0 CA A:ASN296 4.2 26.0 1.0 N A:ASN296 4.2 34.2 1.0 CA E:ASN11 4.2 40.8 1.0 N A:PRO297 4.3 36.3 1.0 N A:GLY299 4.3 33.9 1.0 CA A:PRO297 4.3 31.1 1.0 N E:ASN11 4.3 49.2 1.0 CB A:ASN296 4.4 23.1 1.0 OD1 A:ASP301 4.4 49.9 1.0 CA A:GLY299 4.5 34.0 1.0 O A:GLU292 4.5 50.5 1.0 CB A:ASP304 4.5 37.1 1.0 CA E:ALA10 4.6 36.9 1.0 N E:ALA12 4.7 47.7 1.0 C E:ASN11 4.7 46.4 1.0 CG A:GLN293 4.7 39.1 1.0 C A:PRO297 4.7 29.0 1.0 N A:LEU294 4.8 35.7 1.0 N A:PHE298 4.9 33.0 1.0 N A:ASP301 5.0 40.2 1.0

Calcium binding site 5 out of 5 in the BEST2 + Paba Closed State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of BEST2 + Paba Closed State within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:34.4 occ:1.00 O B:ASN296 2.3 40.7 1.0 OD2 B:ASP301 2.4 47.6 1.0 O A:ALA10 2.5 48.2 1.0 OD2 B:ASP304 2.5 48.1 1.0 O B:GLN293 2.6 40.8 1.0 OD1 B:ASP304 2.8 53.1 1.0 CG B:ASP304 3.0 48.0 1.0 C B:ASN296 3.4 37.7 1.0 CG B:ASP301 3.4 46.9 1.0 C A:ALA10 3.6 40.5 1.0 C B:GLN293 3.7 43.9 1.0 CB B:ASP301 4.1 46.1 1.0 CA B:GLN293 4.2 37.8 1.0 CA A:ASN11 4.2 40.2 1.0 N B:GLY299 4.3 34.6 1.0 O A:VAL9 4.3 52.1 1.0 CA B:ASN296 4.3 28.4 1.0 N B:PRO297 4.3 37.2 1.0 CA B:PRO297 4.3 31.2 1.0 N B:ASN296 4.3 35.8 1.0 OD1 B:ASP301 4.3 52.5 1.0 N A:ASN11 4.3 48.6 1.0 CB B:ASN296 4.4 25.9 1.0 CA B:GLY299 4.4 32.4 1.0 CB B:ASP304 4.5 37.9 1.0 O B:GLU292 4.6 49.8 1.0 CA A:ALA10 4.7 36.0 1.0 N A:ALA12 4.7 47.4 1.0 C A:ASN11 4.7 44.9 1.0 C B:PRO297 4.7 29.7 1.0 CG B:GLN293 4.8 43.0 1.0 N B:ASP301 4.8 38.9 1.0 N B:LEU294 4.8 39.1 1.0 N B:PHE298 4.9 34.5 1.0

A.P.Owji, J.Dong, A.Kittredge, J.Wang, Y.Zhang, T.Yang. Neurotransmitter-Bound Bestrophin Channel Structures Reveal Small Molecule Drug Targeting Sites For Disease Treatment. Nat Commun V. 15 10766 2024.
ISSN: ESSN 2041-1723
PubMed: 39737942
DOI: 10.1038/S41467-024-54938-Z