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Calcium in PDB 5er7: Connexin-26 Bound to Calcium

Protein crystallography data

The structure of Connexin-26 Bound to Calcium, PDB code: 5er7 was solved by M.D.Purdy, B.C.Bennett, K.A.Baker, M.J.Yeager, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.43 / 3.29
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 156.092, 156.092, 160.077, 90.00, 90.00, 120.00
R / Rfree (%) 27.9 / 31.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Connexin-26 Bound to Calcium (pdb code 5er7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Connexin-26 Bound to Calcium, PDB code: 5er7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 5er7

Go back to Calcium Binding Sites List in 5er7
Calcium binding site 1 out of 2 in the Connexin-26 Bound to Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Connexin-26 Bound to Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:0.4
occ:1.00
O B:GLY45 2.3 0.8 1.0
OE1 B:GLU47 2.4 0.3 1.0
OE2 B:GLU47 2.8 0.1 1.0
CD B:GLU47 2.9 0.3 1.0
HA B:ASP46 3.4 1.0 1.0
C B:GLY45 3.5 0.0 1.0
H B:GLU47 3.5 0.5 1.0
O B:ALA40 3.9 0.2 1.0
CA B:ASP46 4.2 1.0 1.0
N B:ASP46 4.3 0.1 1.0
N B:GLU47 4.3 0.5 1.0
CG B:GLU47 4.4 0.9 1.0
HA2 B:GLY45 4.5 0.0 1.0
CA B:GLY45 4.5 0.0 1.0
HG3 B:GLU47 4.8 0.9 1.0
N B:GLY45 4.8 92.5 1.0
C B:ASP46 4.8 0.5 1.0
HB1 B:ALA40 4.8 0.1 1.0
HB2 B:GLU47 4.8 0.1 1.0
HA B:LYS41 4.9 0.8 1.0
C B:ALA40 4.9 0.5 1.0
H B:GLY45 4.9 92.5 1.0
HB3 B:TRP44 4.9 98.5 1.0
HG2 B:GLU47 5.0 0.9 1.0
HH21 B:ARG75 5.0 0.4 1.0

Calcium binding site 2 out of 2 in 5er7

Go back to Calcium Binding Sites List in 5er7
Calcium binding site 2 out of 2 in the Connexin-26 Bound to Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Connexin-26 Bound to Calcium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:0.2
occ:1.00
OE1 A:GLU47 2.6 0.6 1.0
O A:GLY45 2.8 1.0 1.0
OE2 A:GLU47 2.9 0.8 1.0
OE1 B:GLU42 3.0 0.6 1.0
CD A:GLU47 3.1 0.9 1.0
OE2 B:GLU42 3.2 0.7 1.0
CD B:GLU42 3.3 0.5 1.0
HA A:ASP46 3.5 0.7 1.0
C A:GLY45 3.6 0.7 1.0
H A:GLU47 3.6 0.7 1.0
N A:ASP46 4.2 0.9 1.0
CA A:ASP46 4.2 0.7 1.0
O A:ALA40 4.3 0.9 1.0
HH21 A:ARG75 4.3 1.0 1.0
N A:GLU47 4.3 0.7 1.0
HA2 A:GLY45 4.4 0.2 1.0
HA B:GLU42 4.4 0.6 1.0
CA A:GLY45 4.5 0.2 1.0
CG A:GLU47 4.6 0.5 1.0
CG B:GLU42 4.7 95.5 1.0
C A:ASP46 4.8 0.5 1.0
HG2 B:GLU42 4.8 95.5 1.0
H A:ASP46 4.9 0.9 1.0
HG3 A:GLU47 4.9 0.5 1.0
HB3 B:GLU42 4.9 0.5 1.0
HB2 A:GLU47 4.9 0.3 1.0
NH2 A:ARG75 5.0 1.0 1.0

Reference:

B.C.Bennett, M.D.Purdy, K.A.Baker, C.Acharya, W.E.Mcintire, R.C.Stevens, Q.Zhang, A.L.Harris, R.Abagyan, M.Yeager. An Electrostatic Mechanism For Ca(2+)-Mediated Regulation of Gap Junction Channels. Nat Commun V. 7 8770 2016.
ISSN: ESSN 2041-1723
PubMed: 26753910
DOI: 10.1038/NCOMMS9770
Page generated: Sat Dec 12 05:23:40 2020

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