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Calcium in PDB 5t5n: Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium

Protein crystallography data

The structure of Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium, PDB code: 5t5n was solved by S.B.Long, G.Vaisey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.95 / 3.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 98.243, 243.878, 172.052, 90.00, 93.84, 90.00
R / Rfree (%) 21.8 / 24.3

Other elements in 5t5n:

The structure of Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium also contains other interesting chemical elements:

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

Calcium Binding Sites:

The binding sites of Calcium atom in the Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium (pdb code 5t5n). 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 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium, PDB code: 5t5n:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 5t5n

Go back to Calcium Binding Sites List in 5t5n
Calcium binding site 1 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, 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 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:70.1
occ:1.00
 O E:ALA10 2.3 89.8 1.0
O A:HOH601 2.3 91.8 1.0
OD2 A:ASP301 2.3 90.9 1.0
O A:ASN296 2.5 79.4 1.0
OD2 A:ASP304 2.6 83.7 1.0
O A:GLN293 2.7 85.7 1.0
OD1 A:ASP304 3.0 68.8 1.0
CG A:ASP304 3.2 78.3 1.0
C E:ALA10 3.4 82.0 1.0
C A:ASN296 3.5 74.7 1.0
CG A:ASP301 3.5 77.9 1.0
C A:GLN293 3.8 79.0 1.0
CB A:ASP301 4.1 83.8 1.0
CA E:ASP11 4.2 94.6 1.0
N E:ASP11 4.2 90.1 1.0
CB A:ASN296 4.2 82.6 1.0
CA A:ASN296 4.2 89.4 1.0
N A:ASN296 4.3 78.4 1.0
CA A:GLN293 4.3 52.8 1.0
O E:VAL9 4.3 85.4 1.0
CA E:ALA10 4.4 87.7 1.0
CA A:GLY299 4.4 72.7 1.0
N A:GLY299 4.5 82.1 1.0
N A:PRO297 4.5 75.6 1.0
OD1 A:ASP301 4.5 0.0 1.0
CA A:PRO297 4.6 74.4 1.0
O A:GLU292 4.6 62.0 1.0
CB A:ASP304 4.6 82.2 1.0
CG A:GLN293 4.7 73.8 1.0
C E:ASP11 4.7 84.2 1.0
N A:ASP301 4.8 82.1 1.0
N E:ALA12 4.8 72.0 1.0
OD1 E:ASP11 4.9 0.2 1.0
N A:LEU294 4.9 76.6 1.0
CG A:ASN296 4.9 70.9 1.0
OD1 A:ASN296 5.0 95.5 1.0

Calcium binding site 2 out of 5 in 5t5n

Go back to Calcium Binding Sites List in 5t5n
Calcium binding site 2 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, 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 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca502

b:79.7
occ:1.00
 O A:ALA10 2.4 78.8 1.0
OD2 B:ASP301 2.4 74.6 1.0
O B:ASN296 2.4 79.5 1.0
O B:HOH601 2.5 70.3 1.0
OD2 B:ASP304 2.5 78.3 1.0
O B:GLN293 2.6 84.1 1.0
OD1 B:ASP304 2.8 73.2 1.0
CG B:ASP304 3.0 71.5 1.0
C B:ASN296 3.5 83.2 1.0
C A:ALA10 3.5 76.5 1.0
CG B:ASP301 3.6 78.9 1.0
C B:GLN293 3.7 74.1 1.0
CB B:ASP301 4.1 86.1 1.0
CA A:ASP11 4.2 82.1 1.0
CA B:ASN296 4.2 80.0 1.0
N B:ASN296 4.2 85.6 1.0
CA B:GLN293 4.2 49.7 1.0
N A:ASP11 4.3 82.4 1.0
CB B:ASN296 4.3 75.7 1.0
O A:VAL9 4.4 78.0 1.0
N B:PRO297 4.4 76.0 1.0
N B:GLY299 4.4 75.8 1.0
CA A:ALA10 4.5 75.1 1.0
CA B:GLY299 4.5 72.8 1.0
CA B:PRO297 4.5 69.1 1.0
CB B:ASP304 4.5 82.0 1.0
OD1 B:ASP301 4.6 85.7 1.0
O B:GLU292 4.6 73.0 1.0
CG B:GLN293 4.7 58.2 1.0
C A:ASP11 4.8 90.7 1.0
N B:LEU294 4.8 73.3 1.0
N B:ASP301 4.8 97.2 1.0
N A:ALA12 4.9 81.0 1.0
OD1 A:ASP11 4.9 96.5 1.0
C B:PRO297 5.0 67.6 1.0

Calcium binding site 3 out of 5 in 5t5n

Go back to Calcium Binding Sites List in 5t5n
Calcium binding site 3 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, 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 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca502

b:67.2
occ:1.00
 OD2 C:ASP301 2.4 79.0 1.0
O B:ALA10 2.4 71.3 1.0
O C:ASN296 2.4 73.7 1.0
OD2 C:ASP304 2.5 77.0 1.0
O C:HOH601 2.5 82.7 1.0
O C:GLN293 2.7 81.3 1.0
OD1 C:ASP304 2.8 82.0 1.0
CG C:ASP304 3.0 74.9 1.0
C C:ASN296 3.5 77.8 1.0
C B:ALA10 3.5 71.4 1.0
CG C:ASP301 3.5 78.8 1.0
C C:GLN293 3.8 76.3 1.0
CB C:ASP301 4.1 77.7 1.0
CA B:ASP11 4.2 89.6 1.0
CA C:ASN296 4.3 75.0 1.0
N B:ASP11 4.3 92.3 1.0
CB C:ASN296 4.3 71.4 1.0
CA C:GLN293 4.3 52.7 1.0
N C:ASN296 4.3 73.9 1.0
N C:GLY299 4.4 76.0 1.0
N C:PRO297 4.4 80.1 1.0
CA C:GLY299 4.4 67.8 1.0
O B:VAL9 4.4 91.7 1.0
CA B:ALA10 4.5 92.2 1.0
CB C:ASP304 4.5 61.0 1.0
CA C:PRO297 4.5 70.4 1.0
OD1 C:ASP301 4.6 92.0 1.0
CG C:GLN293 4.6 55.8 1.0
O C:GLU292 4.7 70.4 1.0
N C:ASP301 4.8 69.4 1.0
C B:ASP11 4.8 77.2 1.0
N B:ALA12 4.9 74.0 1.0
OD1 B:ASP11 4.9 80.3 1.0
N C:LEU294 4.9 73.3 1.0
C C:PRO297 4.9 69.5 1.0
CG C:ASN296 5.0 77.1 1.0
C C:GLY299 5.0 75.4 1.0

Calcium binding site 4 out of 5 in 5t5n

Go back to Calcium Binding Sites List in 5t5n
Calcium binding site 4 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, 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 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca502

b:53.5
occ:1.00
 OD2 D:ASP301 2.4 74.5 1.0
O D:ASN296 2.4 79.7 1.0
O C:ALA10 2.5 69.2 1.0
O D:HOH601 2.5 69.4 1.0
O D:GLN293 2.6 84.5 1.0
OD2 D:ASP304 2.6 66.2 1.0
OD1 D:ASP304 2.8 70.7 1.0
CG D:ASP304 3.1 70.6 1.0
C D:ASN296 3.5 64.4 1.0
C C:ALA10 3.6 60.3 1.0
CG D:ASP301 3.6 66.1 1.0
C D:GLN293 3.7 68.2 1.0
CB D:ASP301 4.1 74.5 1.0
CA D:GLN293 4.2 52.5 1.0
CA D:ASN296 4.2 64.4 1.0
N D:ASN296 4.2 65.9 1.0
CA C:ASP11 4.3 73.8 1.0
CB D:ASN296 4.3 64.0 1.0
N C:ASP11 4.3 86.0 1.0
O C:VAL9 4.4 69.0 1.0
N D:PRO297 4.4 69.5 1.0
CA D:PRO297 4.5 60.9 1.0
N D:GLY299 4.5 76.5 1.0
CA C:ALA10 4.5 61.6 1.0
CA D:GLY299 4.6 64.1 1.0
CB D:ASP304 4.6 75.2 1.0
CG D:GLN293 4.6 62.1 1.0
OD1 D:ASP301 4.6 76.5 1.0
O D:GLU292 4.6 55.4 1.0
N D:LEU294 4.8 55.5 1.0
C C:ASP11 4.8 68.2 1.0
N C:ALA12 4.9 73.5 1.0
N D:ASP301 4.9 63.0 1.0
C D:PRO297 5.0 68.7 1.0

Calcium binding site 5 out of 5 in 5t5n

Go back to Calcium Binding Sites List in 5t5n
Calcium binding site 5 out of 5 in the Calcium-Activated Chloride Channel Bestrophin-1 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, 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 (BEST1), Triple Mutant: I76A, F80A, F84A; in Complex with An Fab Antibody Fragment, Chloride, and Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca502

b:49.1
occ:1.00
 OD2 E:ASP301 2.4 84.5 1.0
O D:ALA10 2.4 62.7 1.0
O E:ASN296 2.4 96.3 1.0
OD2 E:ASP304 2.5 77.0 1.0
O E:HOH601 2.5 88.7 1.0
O E:GLN293 2.6 78.4 1.0
OD1 E:ASP304 2.7 84.0 1.0
CG E:ASP304 3.0 77.7 1.0
C D:ALA10 3.5 67.7 1.0
CG E:ASP301 3.5 68.7 1.0
C E:ASN296 3.5 69.9 1.0
C E:GLN293 3.7 71.3 1.0
CB E:ASP301 4.0 73.0 1.0
CA D:ASP11 4.2 76.2 1.0
CA E:GLN293 4.2 44.9 1.0
N D:ASP11 4.2 70.4 1.0
CA E:ASN296 4.3 58.5 1.0
CB E:ASN296 4.3 57.4 1.0
N E:ASN296 4.3 47.9 1.0
O D:VAL9 4.4 73.8 1.0
N E:GLY299 4.4 60.8 1.0
N E:PRO297 4.4 56.8 1.0
CA E:GLY299 4.4 65.2 1.0
CA D:ALA10 4.5 73.8 1.0
CB E:ASP304 4.5 67.1 1.0
CA E:PRO297 4.5 53.0 1.0
OD1 E:ASP301 4.6 85.5 1.0
CG E:GLN293 4.6 57.4 1.0
O E:GLU292 4.7 49.6 1.0
N E:ASP301 4.7 69.7 1.0
C D:ASP11 4.8 58.2 1.0
N D:ALA12 4.8 71.0 1.0
N E:LEU294 4.9 60.0 1.0
OD1 D:ASP11 4.9 83.0 1.0
C E:PRO297 5.0 64.6 1.0
CG E:ASN296 5.0 56.0 1.0

Reference:

G.Vaisey, A.N.Miller, S.B.Long. Distinct Regions That Control Ion Selectivity and Calcium-Dependent Activation in the Bestrophin Ion Channel. Proc. Natl. Acad. Sci. V. 113 E7399 2016U.S.A..
ISSN: ESSN 1091-6490
PubMed: 27821745
DOI: 10.1073/PNAS.1614688113
Page generated: Mon Jul 15 10:53:26 2024

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