Calcium in PDB 4rdq: Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium

The structure of Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium, PDB code: 4rdq was solved by V.K.Dickson, L.Pedi, S.B.Long, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.89 / 2.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	98.540, 242.904, 172.757, 90.00, 93.68, 90.00
R / Rfree (%)	21.7 / 23.4

The structure of Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium also contains other interesting chemical elements:

Potassium	(K)	5 atoms
Chlorine	(Cl)	15 atoms

The binding sites of Calcium atom in the Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium (pdb code 4rdq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium, PDB code: 4rdq:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:59.5 occ:1.00 O A:ASN296 2.4 61.8 1.0 OD2 A:ASP301 2.4 66.2 1.0 O E:HOH602 2.4 68.8 1.0 OD2 A:ASP304 2.4 62.3 1.0 O E:ALA10 2.5 59.7 1.0 O A:GLN293 2.5 66.2 1.0 OD1 A:ASP304 2.7 69.0 1.0 CG A:ASP304 2.9 66.6 1.0 C A:ASN296 3.4 60.0 1.0 CG A:ASP301 3.5 65.9 1.0 C E:ALA10 3.6 59.8 1.0 C A:GLN293 3.6 62.5 1.0 CB A:ASP301 4.0 66.3 1.0 CA A:GLN293 4.2 60.9 1.0 CA A:ASN296 4.2 59.1 1.0 N A:ASN296 4.3 60.1 1.0 CB A:ASN296 4.3 56.8 1.0 CA E:ASP11 4.3 75.2 1.0 N A:PRO297 4.3 57.3 1.0 O E:VAL9 4.4 61.4 1.0 N E:ASP11 4.4 74.2 1.0 N A:GLY299 4.4 61.0 1.0 CA A:GLY299 4.4 59.8 1.0 CB A:ASP304 4.4 59.5 1.0 CA A:PRO297 4.5 56.2 1.0 CA E:ALA10 4.6 58.6 1.0 CG A:GLN293 4.6 68.0 1.0 OD1 A:ASP301 4.6 73.0 1.0 O A:GLU292 4.6 66.3 1.0 N A:LEU294 4.8 61.3 1.0 N A:ASP301 4.8 65.9 1.0 C E:ASP11 4.8 73.9 1.0 N E:ALA12 4.9 63.3 1.0 C A:PRO297 4.9 59.2 1.0 CG A:ASN296 4.9 55.0 1.0 OD1 A:ASN296 4.9 60.7 1.0 C A:GLY299 5.0 62.5 1.0

Calcium binding site 2 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca502 b:62.9 occ:1.00 OD2 B:ASP301 2.4 62.3 1.0 O B:ASN296 2.4 70.0 1.0 OD2 B:ASP304 2.4 61.1 1.0 O A:HOH602 2.4 69.1 1.0 O A:ALA10 2.5 63.5 1.0 O B:GLN293 2.6 70.2 1.0 OD1 B:ASP304 2.7 65.8 1.0 CG B:ASP304 2.9 63.1 1.0 C B:ASN296 3.4 68.6 1.0 CG B:ASP301 3.5 65.5 1.0 C A:ALA10 3.6 62.0 1.0 C B:GLN293 3.6 62.4 1.0 CB B:ASP301 4.0 64.2 1.0 CA B:GLN293 4.2 60.2 1.0 CA B:ASN296 4.2 66.9 1.0 CA A:ASP11 4.2 75.5 1.0 N B:ASN296 4.3 69.1 1.0 CB B:ASN296 4.3 65.7 1.0 N A:ASP11 4.3 73.1 1.0 O A:VAL9 4.3 69.6 1.0 N B:PRO297 4.3 59.4 1.0 N B:GLY299 4.4 63.9 1.0 CB B:ASP304 4.4 57.0 1.0 CA B:GLY299 4.4 62.5 1.0 CA B:PRO297 4.5 59.1 1.0 CA A:ALA10 4.5 61.8 1.0 OD1 B:ASP301 4.6 72.7 1.0 CG B:GLN293 4.6 66.7 1.0 O B:GLU292 4.6 71.7 1.0 C A:ASP11 4.7 73.8 1.0 N B:LEU294 4.8 60.3 1.0 N B:ASP301 4.8 66.2 1.0 N A:ALA12 4.8 67.5 1.0 C B:PRO297 4.9 61.1 1.0 OD1 B:ASN296 5.0 69.9 1.0 CG B:ASN296 5.0 65.2 1.0 C B:GLY299 5.0 63.2 1.0

Calcium binding site 3 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca502 b:64.1 occ:1.00 OD2 C:ASP301 2.3 66.6 1.0 O C:ASN296 2.4 64.5 1.0 O B:HOH602 2.4 64.9 1.0 OD2 C:ASP304 2.5 61.4 1.0 O B:ALA10 2.5 56.0 1.0 O C:GLN293 2.5 69.3 1.0 OD1 C:ASP304 2.7 69.2 1.0 CG C:ASP304 2.9 64.4 1.0 C C:ASN296 3.4 65.7 1.0 CG C:ASP301 3.5 69.1 1.0 C B:ALA10 3.6 53.7 1.0 C C:GLN293 3.6 63.4 1.0 CB C:ASP301 4.0 68.7 1.0 CA C:GLN293 4.2 61.3 1.0 CA C:ASN296 4.2 62.9 1.0 CA B:ASP11 4.3 78.2 1.0 CB C:ASN296 4.3 62.2 1.0 N C:ASN296 4.3 66.0 1.0 O B:VAL9 4.3 67.7 1.0 N B:ASP11 4.3 76.1 1.0 N C:PRO297 4.4 59.1 1.0 N C:GLY299 4.4 63.9 1.0 CB C:ASP304 4.4 57.5 1.0 CA C:GLY299 4.4 63.3 1.0 CA C:PRO297 4.5 57.5 1.0 OD1 C:ASP301 4.5 76.4 1.0 CA B:ALA10 4.5 53.2 1.0 CG C:GLN293 4.6 68.0 1.0 O C:GLU292 4.6 64.7 1.0 C B:ASP11 4.8 76.9 1.0 N C:LEU294 4.8 62.1 1.0 N C:ASP301 4.8 69.9 1.0 N B:ALA12 4.8 73.1 1.0 CG C:ASN296 5.0 61.3 1.0 OD1 C:ASN296 5.0 67.4 1.0 C C:PRO297 5.0 60.0 1.0 CB C:GLN293 5.0 59.2 1.0

Calcium binding site 4 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca502 b:52.4 occ:1.00 O D:ASN296 2.4 61.0 1.0 OD2 D:ASP301 2.4 56.0 1.0 O C:HOH602 2.4 49.2 1.0 OD2 D:ASP304 2.5 51.9 1.0 O C:ALA10 2.5 49.9 1.0 O D:GLN293 2.5 66.2 1.0 OD1 D:ASP304 2.7 59.2 1.0 CG D:ASP304 2.9 55.1 1.0 C D:ASN296 3.4 59.2 1.0 CG D:ASP301 3.5 55.0 1.0 C C:ALA10 3.6 49.2 1.0 C D:GLN293 3.6 59.7 1.0 CB D:ASP301 4.1 54.6 1.0 CA D:GLN293 4.2 56.7 1.0 CA D:ASN296 4.2 58.3 1.0 N D:ASN296 4.3 61.0 1.0 CB D:ASN296 4.3 60.1 1.0 CA C:ASP11 4.3 68.2 1.0 N D:PRO297 4.3 59.6 1.0 O C:VAL9 4.3 55.1 1.0 N C:ASP11 4.3 68.1 1.0 N D:GLY299 4.4 55.1 1.0 CB D:ASP304 4.4 47.8 1.0 CA D:GLY299 4.4 54.5 1.0 CA D:PRO297 4.5 59.1 1.0 CA C:ALA10 4.5 48.6 1.0 CG D:GLN293 4.6 64.6 1.0 OD1 D:ASP301 4.6 63.6 1.0 O D:GLU292 4.7 63.3 1.0 N D:LEU294 4.8 57.7 1.0 C C:ASP11 4.8 67.2 1.0 N D:ASP301 4.8 56.2 1.0 N C:ALA12 4.9 62.9 1.0 C D:PRO297 4.9 60.5 1.0 OD1 D:ASN296 5.0 60.1 1.0 CG D:ASN296 5.0 56.5 1.0 C D:GLY299 5.0 56.7 1.0 CB D:GLN293 5.0 56.2 1.0

Calcium binding site 5 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Calcium-Activated Chloride Channel Bestrophin-1, From Chicken, in Complex with Fab Antibody Fragments, Chloride and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca502 b:54.8 occ:1.00 OD2 E:ASP301 2.4 51.1 1.0 OD2 E:ASP304 2.4 56.8 1.0 O E:ASN296 2.4 57.5 1.0 O D:HOH602 2.5 54.4 1.0 O D:ALA10 2.5 50.0 1.0 O E:GLN293 2.5 65.0 1.0 OD1 E:ASP304 2.6 63.9 1.0 CG E:ASP304 2.9 60.4 1.0 C E:ASN296 3.4 55.6 1.0 CG E:ASP301 3.5 53.9 1.0 C D:ALA10 3.6 48.2 1.0 C E:GLN293 3.6 59.1 1.0 CB E:ASP301 4.0 54.1 1.0 CA E:GLN293 4.2 56.7 1.0 CA E:ASN296 4.3 53.4 1.0 CA D:ASP11 4.3 63.8 1.0 N E:ASN296 4.3 57.0 1.0 CB E:ASN296 4.3 54.4 1.0 N E:PRO297 4.3 50.2 1.0 CB E:ASP304 4.4 53.1 1.0 N D:ASP11 4.4 62.5 1.0 N E:GLY299 4.4 53.8 1.0 O D:VAL9 4.4 53.0 1.0 CA E:GLY299 4.4 53.3 1.0 CA E:PRO297 4.5 49.0 1.0 CG E:GLN293 4.5 64.4 1.0 OD1 E:ASP301 4.6 60.4 1.0 CA D:ALA10 4.6 46.9 1.0 O E:GLU292 4.7 59.1 1.0 N E:LEU294 4.8 51.8 1.0 N E:ASP301 4.8 52.8 1.0 C D:ASP11 4.8 63.5 1.0 N D:ALA12 4.9 62.5 1.0 C E:PRO297 4.9 50.4 1.0 C E:GLY299 5.0 55.2 1.0 CB E:GLN293 5.0 55.0 1.0 OD1 E:ASN296 5.0 55.2 1.0 CG E:ASN296 5.0 50.8 1.0

V.K.Dickson, L.Pedi, S.B.Long. Structure and Insights Into the Function of A CA2+ -Activated Cl- Channel Nature 2014.
ISSN: ESSN 1476-4687
DOI: 10.1038/NATURE13913