Cadmium in PDB 4mvs: Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel

The structure of Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel, PDB code: 4mvs was solved by L.Tang, T.M.Gamal El-Din, J.Payandeh, G.Q.Martinez, T.M.Heard, T.Scheuer, N.Zheng, W.A.Catterall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	178.590, 178.650, 131.135, 90.00, 132.89, 90.00
R / Rfree (%)	23.3 / 26.9

The binding sites of Cadmium atom in the Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel (pdb code 4mvs). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 5 binding sites of Cadmium where determined in the Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel, PDB code: 4mvs:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5;

Cadmium binding site 1 out of 5 in the Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1301 b:52.5 occ:1.00 O A:HOH1401 2.2 35.0 1.0 O B:HOH1401 2.2 39.2 1.0 O D:HOH1401 2.2 30.6 1.0 O C:HOH1402 2.3 75.3 1.0 O C:HOH1401 2.3 23.9 1.0 O D:HOH1402 2.5 28.9 1.0 N B:ASP1178 4.2 57.9 1.0 N D:ASP1178 4.3 56.7 1.0 N A:ASP1178 4.3 53.4 1.0 N C:ASP1178 4.4 55.5 1.0 OD1 A:ASP1177 4.6 71.4 1.0 O B:LEU1176 4.6 52.8 1.0 OD1 B:ASP1177 4.7 65.8 1.0 O D:LEU1176 4.7 43.1 1.0 O C:LEU1176 4.7 39.9 1.0 OD1 C:ASP1177 4.8 61.5 1.0 O A:LEU1176 4.8 47.4 1.0 OD1 D:ASP1177 4.8 64.2 1.0 CA B:ASP1177 4.9 54.8 1.0 CA A:ASP1177 5.0 54.5 1.0

Cadmium binding site 2 out of 5 in the Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1302 b:0.6 occ:1.00 OE2 A:GLU1165 2.7 78.1 1.0 O A:PRO1157 2.8 75.3 1.0 OE1 A:GLU1165 2.8 90.6 1.0 CD A:GLU1165 3.1 73.8 1.0 C A:PRO1157 3.6 61.9 1.0 CA A:GLY1161 4.0 58.6 1.0 CB A:PRO1157 4.0 61.9 1.0 CA A:PRO1157 4.2 60.4 1.0 C A:GLY1161 4.3 60.5 1.0 N A:GLU1158 4.5 63.7 1.0 N A:THR1162 4.5 69.4 1.0 CG A:GLU1165 4.5 75.9 1.0 N A:GLY1161 4.6 51.1 1.0 CA A:GLU1158 4.6 63.0 1.0 CB A:THR1162 4.7 67.2 1.0 O A:GLU1158 4.9 63.9 1.0 OG1 A:THR1162 4.9 70.5 1.0 O A:GLY1161 4.9 63.3 1.0 C A:GLU1158 5.0 53.8 1.0

Cadmium binding site 3 out of 5 in the Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd1301 b:0.4 occ:1.00 OE2 B:GLU1165 2.7 0.5 1.0 O B:PRO1157 2.7 62.7 1.0 OE1 B:GLU1165 2.8 98.4 1.0 CD B:GLU1165 3.1 84.9 1.0 C B:PRO1157 3.6 58.4 1.0 CA B:GLY1161 3.9 67.5 1.0 CB B:PRO1157 4.0 53.1 1.0 C B:GLY1161 4.2 69.4 1.0 CA B:PRO1157 4.3 53.4 1.0 N B:GLY1161 4.5 54.5 1.0 N B:THR1162 4.5 75.3 1.0 CG B:GLU1165 4.5 78.6 1.0 N B:GLU1158 4.5 67.7 1.0 OG1 B:THR1162 4.7 56.1 1.0 CA B:GLU1158 4.7 68.1 1.0 CB B:THR1162 4.7 58.7 1.0 O B:GLY1161 4.8 72.4 1.0

Cadmium binding site 4 out of 5 in the Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ C:Cd1301 b:0.5 occ:1.00 OE1 C:GLU1165 2.5 0.2 1.0 OE2 C:GLU1165 2.7 90.5 1.0 O C:PRO1157 2.8 72.4 1.0 CD C:GLU1165 2.9 81.2 1.0 C C:PRO1157 3.8 66.2 1.0 CA C:GLY1161 4.3 63.1 1.0 CB C:PRO1157 4.3 59.8 1.0 CG C:GLU1165 4.4 79.6 1.0 CA C:PRO1157 4.5 58.1 1.0 C C:GLY1161 4.5 61.4 1.0 N C:GLU1158 4.6 69.8 1.0 N C:THR1162 4.7 69.4 1.0 CA C:GLU1158 4.7 74.4 1.0 CB C:THR1162 4.7 58.8 1.0 N C:GLY1161 4.8 54.8 1.0 OG1 C:THR1162 5.0 60.7 1.0

Cadmium binding site 5 out of 5 in the Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ D:Cd1301 b:0.0 occ:1.00 O D:PRO1157 2.7 61.7 1.0 OE2 D:GLU1165 2.7 72.4 1.0 OE1 D:GLU1165 2.8 77.9 1.0 CD D:GLU1165 3.1 68.4 1.0 C D:PRO1157 3.5 63.0 1.0 CB D:PRO1157 4.0 53.0 1.0 CA D:PRO1157 4.2 54.6 1.0 CA D:GLY1161 4.2 61.2 1.0 N D:GLU1158 4.4 67.5 1.0 CA D:GLU1158 4.5 60.8 1.0 CG D:GLU1165 4.5 68.1 1.0 C D:GLY1161 4.6 65.0 1.0 N D:GLY1161 4.6 50.2 1.0 N D:THR1162 4.7 73.5 1.0 C D:GLU1158 4.9 52.4 1.0 CB D:THR1162 4.9 64.6 1.0 O D:GLU1158 4.9 60.7 1.0

L.Tang, T.M.Gamal El-Din, J.Payandeh, G.Q.Martinez, T.M.Heard, T.Scheuer, N.Zheng, W.A.Catterall. Structural Basis For CA2+ Selectivity of A Voltage-Gated Calcium Channel. Nature V. 505 56 2014.
ISSN: ISSN 0028-0836
PubMed: 24270805
DOI: 10.1038/NATURE12775