Calcium in PDB 5aer: Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens

The structure of Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens, PDB code: 5aer was solved by M.Saleem, V.Karuppiah, S.Pandalaneni, R.Burgoyne, J.P.Derrick, L.Y.Lian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.38 / 2.19
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.670, 44.670, 205.520, 90.00, 90.00, 90.00
R / Rfree (%)	21.661 / 25.577

The structure of Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Calcium atom in the Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens (pdb code 5aer). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens, PDB code: 5aer:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca200 b:34.0 occ:1.00 OD1 A:ASP73 2.3 39.7 1.0 OD1 A:ASN75 2.3 41.9 1.0 O A:ARG79 2.3 40.5 1.0 OE2 A:GLU81 2.3 44.9 1.0 OD1 A:ASP77 2.3 43.6 1.0 OE2 A:GLU84 2.3 38.4 1.0 OE1 A:GLU84 2.3 38.7 1.0 CD A:GLU84 2.7 36.4 1.0 CG A:ASP77 3.2 41.7 1.0 CG A:ASN75 3.2 42.8 1.0 CG A:ASP73 3.4 39.0 1.0 C A:ARG79 3.5 41.7 1.0 OD2 A:ASP77 3.5 41.5 1.0 CD A:GLU81 3.5 52.0 1.0 ND2 A:ASN75 3.6 42.8 1.0 CA A:ASP73 4.2 35.6 1.0 CG A:GLU84 4.2 35.4 1.0 OD2 A:ASP73 4.2 40.6 1.0 CG A:GLU81 4.2 47.7 1.0 N A:ARG79 4.3 43.4 1.0 CB A:ASP73 4.3 37.7 1.0 N A:ASP77 4.3 42.9 1.0 CA A:ARG79 4.4 44.0 1.0 N A:ILE80 4.4 39.3 1.0 CA A:ILE80 4.4 38.6 1.0 CB A:ASP77 4.4 43.2 1.0 N A:ASN75 4.4 40.3 1.0 N A:GLU81 4.5 39.3 1.0 CB A:ASN75 4.5 41.2 1.0 OE1 A:GLU81 4.5 53.7 1.0 C A:ASP73 4.6 37.2 1.0 CB A:ARG79 4.7 48.9 1.0 N A:GLU74 4.7 38.1 1.0 N A:LYS76 4.7 41.6 1.0 CA A:ASP77 4.8 42.6 1.0 CA A:ASN75 4.9 42.1 1.0 C A:ASN75 5.0 42.3 1.0 C A:ILE80 5.0 39.1 1.0

Calcium binding site 2 out of 3 in the Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:36.9 occ:1.00 O A:TYR115 2.3 39.0 1.0 OD1 A:ASP111 2.3 50.7 1.0 OD1 A:ASP109 2.3 41.9 1.0 OD1 A:ASP113 2.3 43.8 1.0 OE2 A:GLU120 2.3 42.0 1.0 OE1 A:GLU120 2.3 38.2 1.0 CD A:GLU120 2.7 38.1 1.0 CG A:ASP111 3.1 51.6 1.0 CG A:ASP113 3.2 42.9 1.0 OD2 A:ASP111 3.4 55.5 1.0 CG A:ASP109 3.5 37.9 1.0 C A:TYR115 3.5 35.5 1.0 OD2 A:ASP113 3.7 44.3 1.0 N A:ASP113 4.0 42.9 1.0 N A:ASP111 4.0 45.5 1.0 N A:TYR115 4.2 36.3 1.0 OD2 A:ASP109 4.2 38.1 1.0 N A:ASN112 4.2 49.3 1.0 CG A:GLU120 4.2 38.0 1.0 CA A:ASP109 4.2 37.8 1.0 C A:ASP109 4.3 40.4 1.0 CB A:ASP111 4.3 50.2 1.0 CA A:TYR115 4.3 35.1 1.0 CB A:ASP113 4.4 44.4 1.0 CB A:ASP109 4.4 38.1 1.0 N A:LEU110 4.4 42.2 1.0 N A:ILE116 4.4 35.4 1.0 CA A:ASP111 4.5 48.3 1.0 CA A:ILE116 4.5 34.9 1.0 CB A:TYR115 4.5 34.9 1.0 C A:ASP111 4.5 49.0 1.0 O A:ASP109 4.6 38.7 1.0 CA A:ASP113 4.7 43.8 1.0 N A:THR117 4.8 38.2 1.0 N A:GLY114 4.9 41.0 1.0 CG2 A:THR117 4.9 42.0 1.0 CA A:ASN112 5.0 48.4 1.0 C A:ASP113 5.0 42.7 1.0 C A:ASN112 5.0 45.4 1.0

Calcium binding site 3 out of 3 in the Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Neuronal Calcium Sensor-1 (Ncs-1)From Rattus Norvegicus Complex with D2 Dopamine Receptor Peptide From Homo Sapiens within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:46.7 occ:1.00 OE1 A:GLU168 2.3 47.1 1.0 OD1 A:ASP157 2.3 48.2 1.0 OE2 A:GLU168 2.3 47.4 1.0 OD1 A:ASP161 2.3 49.6 1.0 O A:LYS163 2.4 48.8 1.0 OD1 A:ASN159 2.4 63.8 1.0 CD A:GLU168 2.7 42.7 1.0 CG A:ASN159 3.2 58.8 1.0 CG A:ASP161 3.3 49.0 1.0 CB A:ASN159 3.5 55.7 1.0 C A:LYS163 3.5 41.8 1.0 CG A:ASP157 3.6 43.2 1.0 OD2 A:ASP161 3.6 50.2 1.0 N A:ASN159 3.8 52.1 1.0 CA A:ASN159 4.1 55.2 1.0 CG A:GLU168 4.2 40.4 1.0 CA A:LEU164 4.2 34.9 1.0 CA A:ASP157 4.3 40.9 1.0 N A:LEU164 4.3 38.1 1.0 OD2 A:ASP157 4.4 44.7 1.0 N A:LYS163 4.4 42.4 1.0 C A:ASP157 4.4 43.5 1.0 N A:LYS158 4.4 45.1 1.0 ND2 A:ASN159 4.5 58.2 1.0 CB A:ASP157 4.5 41.4 1.0 N A:ASP161 4.5 47.5 1.0 CA A:LYS163 4.6 43.0 1.0 C A:ASN159 4.6 53.4 1.0 N A:ALA160 4.6 50.7 1.0 CD2 A:LEU164 4.7 34.3 1.0 N A:THR165 4.7 34.4 1.0 CB A:ASP161 4.7 49.9 1.0 C A:LEU164 5.0 34.5 1.0 CG A:LYS163 5.0 50.1 1.0 O A:ASP157 5.0 44.0 1.0 C A:LYS158 5.0 51.4 1.0

S.Pandalaneni, V.Karuppiah, M.Saleem, L.P.Haynes, R.Burgoyne, O.Mayans, J.P.Derrick, L.Y.Lian. Structures of Ncs-1 Complexes with the D2 Dopamine Receptor and Gpcr Kinase 1 (GRK1) Peptides Shows Different Modes of Interactions To Be Published.