Calcium in PDB 4cin: Complex of Bcl-Xl with Its BH3 Domain

The structure of Complex of Bcl-Xl with Its BH3 Domain, PDB code: 4cin was solved by P.M.Colman, E.F.Lee, W.D.Fairlie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.525 / 2.69
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.257, 73.257, 136.864, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 27.08

The binding sites of Calcium atom in the Complex of Bcl-Xl with Its BH3 Domain (pdb code 4cin). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Complex of Bcl-Xl with Its BH3 Domain, PDB code: 4cin:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Complex of Bcl-Xl with Its BH3 Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex of Bcl-Xl with Its BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1198 b:47.3 occ:1.00 OE1 A:GLU124 2.3 73.2 1.0 CD A:GLU124 3.4 77.0 1.0 O A:HOH2028 3.5 33.6 1.0 OE2 A:GLU124 3.8 84.5 1.0 O2 A:EDO1201 4.0 57.9 1.0 CG A:GLU124 4.6 59.3 1.0 OH A:TYR120 4.7 25.4 1.0 ND2 A:ASN128 4.7 39.9 1.0 CB A:GLU124 4.8 30.5 1.0 CE2 A:TYR120 5.0 23.3 1.0

Calcium binding site 2 out of 2 in the Complex of Bcl-Xl with Its BH3 Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex of Bcl-Xl with Its BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1198 b:42.5 occ:1.00 O B:GLY186 2.4 37.2 1.0 OD1 B:ASP189 2.5 54.5 1.0 O B:HOH2021 2.5 49.5 1.0 OD2 B:ASP189 3.1 52.1 1.0 CG B:ASP189 3.2 46.3 1.0 O1 B:EDO1203 3.5 53.5 1.0 C B:GLY186 3.5 27.1 1.0 CA B:GLY186 4.2 23.0 1.0 OG1 B:THR190 4.5 44.0 1.0 O2 B:EDO1203 4.6 57.4 1.0 N B:GLY187 4.6 30.6 1.0 CB B:ASP189 4.7 30.9 1.0 C1 B:EDO1203 4.8 57.5 1.0 CA B:GLY187 4.8 20.8 1.0 C2 B:EDO1203 4.9 57.0 1.0

E.F.Lee, G.Dewson, M.Evangelista, A.Pettikiriarachchi, H.Zhu, P.M.Colman, W.D.Fairlie. The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (BH3) Domains J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
DOI: 10.1074/JBC.M114.610758