Calcium in PDB 4ms2: Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel

The structure of Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel, PDB code: 4ms2 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)	40.37 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	177.790, 177.540, 131.140, 90.00, 132.69, 90.00
R / Rfree (%)	23.2 / 25.5

The binding sites of Calcium atom in the Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel (pdb code 4ms2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel, PDB code: 4ms2:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1302 b:63.7 occ:1.00 O C:HOH1401 2.3 44.5 1.0 O D:HOH1402 2.3 46.0 1.0 O A:HOH1401 2.3 44.4 1.0 O C:HOH1402 2.3 46.5 1.0 O D:HOH1401 2.4 43.8 1.0 O B:HOH1401 2.4 46.6 1.0 O A:HOH1402 2.4 47.4 1.0 O B:HOH1402 2.4 48.6 1.0 CA D:CA1302 3.7 59.8 1.0 N C:ASP1178 4.3 40.4 1.0 N D:ASP1178 4.4 42.6 1.0 CA A:CA1303 4.4 81.2 1.0 O C:HOH1405 4.5 47.5 1.0 N A:ASP1178 4.5 37.3 1.0 O D:HOH1406 4.5 44.6 1.0 OD1 C:ASP1177 4.6 43.4 1.0 O C:LEU1176 4.6 39.5 1.0 OD1 A:ASP1177 4.6 38.8 1.0 O A:LEU1176 4.6 42.9 1.0 N B:ASP1178 4.7 42.6 1.0 O D:LEU1176 4.7 41.5 1.0 CA C:ASP1177 4.7 36.1 1.0 O B:LEU1176 4.7 41.7 1.0 OD1 D:ASP1177 4.7 45.2 1.0 OD1 B:ASP1177 4.8 39.1 1.0 CA D:ASP1177 4.8 38.4 1.0 O B:HOH1405 4.8 46.3 1.0 CA A:ASP1177 4.9 34.5 1.0 O A:HOH1406 4.9 39.1 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1303 b:81.2 occ:1.00 O C:HOH1405 2.4 47.5 1.0 O A:HOH1406 2.4 39.1 1.0 O B:HOH1405 2.4 46.3 1.0 O D:HOH1406 2.4 44.6 1.0 O A:HOH1402 3.2 47.4 1.0 O B:HOH1402 3.3 48.6 1.0 O C:HOH1402 3.6 46.5 1.0 O D:HOH1402 3.6 46.0 1.0 CA A:CA1302 4.4 63.7 1.0 O A:THR1175 4.8 30.6 1.0 O B:THR1175 4.8 37.0 1.0 O C:THR1175 4.9 33.1 1.0 O A:LEU1176 4.9 42.9 1.0 O D:THR1175 4.9 33.4 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1304 b:99.3 occ:1.00 CA D:CA1303 3.2 0.8 1.0 O C:HOH1406 3.3 56.4 1.0 O D:HOH1407 3.5 58.9 1.0 O A:HOH1407 3.5 50.3 1.0 O D:HOH1411 3.6 62.1 1.0 O B:HOH1406 3.7 59.4 1.0 O A:HOH1410 3.8 57.4 1.0 O C:HOH1409 3.8 63.1 1.0 O B:HOH1408 3.9 58.0 1.0 O D:HOH1404 4.2 55.8 1.0 O C:HOH1404 4.5 54.6 1.0 O D:HOH1405 4.6 61.6 1.0 OD2 D:ASP1178 4.6 47.1 1.0 O A:HOH1404 4.6 52.0 1.0 OD2 A:ASP1178 4.6 46.6 1.0 CA D:CA1302 4.6 59.8 1.0 OD2 C:ASP1178 4.7 48.9 1.0 OD2 B:ASP1178 4.9 46.0 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1302 b:59.8 occ:1.00 O C:HOH1409 2.4 63.1 1.0 O D:HOH1411 2.4 62.1 1.0 O A:HOH1410 2.4 57.4 1.0 O B:HOH1408 2.4 58.0 1.0 O D:HOH1401 3.6 43.8 1.0 O B:HOH1401 3.6 46.6 1.0 CA A:CA1302 3.7 63.7 1.0 O A:HOH1401 3.8 44.4 1.0 O C:HOH1401 3.8 44.5 1.0 CB D:ASP1178 4.2 40.4 1.0 CB C:ASP1178 4.3 44.4 1.0 CB B:ASP1178 4.4 39.2 1.0 CG D:ASP1178 4.4 44.8 1.0 CB A:ASP1178 4.4 40.0 1.0 OD1 B:ASP1178 4.4 40.7 1.0 CA D:ASP1178 4.4 39.1 1.0 CG B:ASP1178 4.5 40.2 1.0 CG A:ASP1178 4.5 41.5 1.0 CG C:ASP1178 4.5 41.8 1.0 CA B:ASP1178 4.6 37.1 1.0 OD1 D:ASP1178 4.6 44.3 1.0 N D:ASP1178 4.6 42.6 1.0 CA C:ASP1178 4.6 39.8 1.0 CA A:CA1304 4.6 99.3 1.0 OD1 C:ASP1178 4.7 41.0 1.0 OD1 A:ASP1178 4.7 43.5 1.0 CA A:ASP1178 4.7 37.3 1.0 N B:ASP1178 4.7 42.6 1.0 OD1 D:ASP1177 4.7 45.2 1.0 N C:ASP1178 4.8 40.4 1.0 N A:ASP1178 4.8 37.3 1.0 OD2 A:ASP1178 4.9 46.6 1.0 OD2 D:ASP1178 4.9 47.1 1.0 OD1 C:ASP1177 5.0 43.4 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structural Basis of CA2+ Selectivity of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1303 b:0.8 occ:1.00 CA A:CA1304 3.2 99.3 1.0 O B:HOH1404 3.9 87.4 1.0 O D:HOH1404 4.2 55.8 1.0 O D:HOH1405 4.5 61.6 1.0 O D:HOH1407 4.8 58.9 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