Calcium in PDB 5hit: Crystal Structure Analysis of CA2+-Calmodulin and A C-Terminal EAG1 Channel Fragment

The structure of Crystal Structure Analysis of CA2+-Calmodulin and A C-Terminal EAG1 Channel Fragment, PDB code: 5hit was solved by M.J.Marques-Carvalho, J.H.Morais-Cabral, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.83 / 2.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.624, 121.137, 73.855, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 26.8

The binding sites of Calcium atom in the Crystal Structure Analysis of CA2+-Calmodulin and A C-Terminal EAG1 Channel Fragment (pdb code 5hit). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure Analysis of CA2+-Calmodulin and A C-Terminal EAG1 Channel Fragment, PDB code: 5hit:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure Analysis of CA2+-Calmodulin and A C-Terminal EAG1 Channel Fragment


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of CA2+-Calmodulin and A C-Terminal EAG1 Channel Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:33.5 occ:1.00 O A:TYR99 2.3 37.9 1.0 OD1 A:ASP95 2.3 52.7 1.0 OE2 A:GLU104 2.3 41.3 1.0 OD1 A:ASN97 2.3 34.9 1.0 OD1 A:ASP93 2.3 28.4 1.0 OE1 A:GLU104 2.3 49.3 1.0 O A:HOH307 2.4 65.8 1.0 CD A:GLU104 2.7 35.6 1.0 CG A:ASN97 3.3 32.4 1.0 CG A:ASP95 3.4 53.7 1.0 C A:TYR99 3.4 30.1 1.0 CG A:ASP93 3.5 31.0 1.0 ND2 A:ASN97 3.7 29.0 1.0 OD2 A:ASP95 3.7 60.8 1.0 CA A:ASP93 4.2 23.7 1.0 CG A:GLU104 4.2 24.1 1.0 N A:TYR99 4.2 36.3 1.0 N A:ILE100 4.3 30.9 1.0 CA A:TYR99 4.3 30.3 1.0 CA A:ILE100 4.3 24.6 1.0 OD2 A:ASP93 4.3 29.7 1.0 CB A:ASP93 4.4 16.4 1.0 N A:ASN97 4.4 36.3 1.0 N A:ASP95 4.4 20.7 1.0 C A:ASP93 4.5 25.6 1.0 N A:LYS94 4.5 24.8 1.0 CB A:ASN97 4.5 25.6 1.0 N A:SER101 4.5 32.0 1.0 OE1 A:GLN135 4.6 71.2 1.0 CB A:TYR99 4.7 35.8 1.0 N A:GLY96 4.7 28.4 1.0 CB A:ASP95 4.7 16.7 1.0 CA A:ASN97 4.9 25.3 1.0 C A:ILE100 4.9 26.3 1.0 CA A:ASP95 5.0 19.4 1.0 N A:GLY98 5.0 35.6 1.0 CB A:GLU104 5.0 23.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure Analysis of CA2+-Calmodulin and A C-Terminal EAG1 Channel Fragment


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of CA2+-Calmodulin and A C-Terminal EAG1 Channel Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:46.0 occ:1.00 OD1 A:ASP129 2.3 45.4 1.0 OD1 A:ASP131 2.3 76.2 1.0 OD1 A:ASP133 2.3 83.9 1.0 OE1 A:GLU140 2.3 52.1 1.0 OD2 A:ASP133 2.4 72.5 1.0 OE2 A:GLU140 2.4 61.9 1.0 O A:HOH301 2.4 58.2 1.0 O A:GLN135 2.4 38.5 1.0 CG A:ASP133 2.5 76.3 1.0 CD A:GLU140 2.7 44.3 1.0 CG A:ASP131 3.4 75.8 1.0 CG A:ASP129 3.5 42.7 1.0 C A:GLN135 3.6 44.5 1.0 OD2 A:ASP131 3.7 78.5 1.0 CB A:ASP133 3.9 65.7 1.0 N A:ASP133 4.1 69.9 1.0 CG A:GLU140 4.2 23.8 1.0 OD2 A:ASP129 4.2 50.2 1.0 CA A:VAL136 4.3 28.4 1.0 N A:ASN137 4.3 17.0 1.0 OD1 A:ASN137 4.4 43.1 1.0 N A:VAL136 4.4 37.9 1.0 CA A:ASP129 4.5 47.8 1.0 N A:GLN135 4.5 58.0 1.0 CA A:ASP133 4.5 61.1 1.0 N A:ASP131 4.5 55.5 1.0 N A:GLY132 4.6 48.6 1.0 CB A:ASP129 4.6 41.5 1.0 CB A:ASP131 4.7 71.4 1.0 CA A:GLN135 4.7 50.8 1.0 N A:ILE130 4.7 62.6 1.0 N A:GLY134 4.8 56.6 1.0 C A:VAL136 4.8 35.1 1.0 C A:ASP129 4.9 61.0 1.0 CG A:ASN137 5.0 44.9 1.0 CB A:GLU140 5.0 28.0 1.0 CA A:ASP131 5.0 60.1 1.0

M.J.Marques-Carvalho, J.Oppermann, E.Munoz, A.S.Fernandes, G.Gabant, M.Cadene, S.H.Heinemann, R.Schonherr, J.H.Morais-Cabral. Molecular Insights Into the Mechanism of Calmodulin Inhibition of the EAG1 Potassium Channel. Structure V. 24 1742 2016.
ISSN: ISSN 0969-2126
PubMed: 27618660
DOI: 10.1016/J.STR.2016.07.020