Calcium in PDB 2b50: Human Nuclear Receptor-Ligand Complex 2

The structure of Human Nuclear Receptor-Ligand Complex 2, PDB code: 2b50 was solved by S.A.Fyffe, M.S.Alphey, L.Buetow, T.K.Smith, M.A.J.Ferguson, M.D.Sorensen, F.Bjorkling, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.49 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.776, 92.084, 95.017, 90.00, 97.00, 90.00
R / Rfree (%)	19.7 / 24.9

The binding sites of Calcium atom in the Human Nuclear Receptor-Ligand Complex 2 (pdb code 2b50). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Nuclear Receptor-Ligand Complex 2, PDB code: 2b50:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Nuclear Receptor-Ligand Complex 2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Nuclear Receptor-Ligand Complex 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1303 b:26.8 occ:1.00 OE2 A:GLU407 2.3 31.1 1.0 OE1 A:GLN410 2.4 24.4 1.0 CD A:GLN410 3.4 24.5 1.0 CD A:GLU407 3.4 30.4 1.0 OE1 A:GLU407 3.8 32.1 1.0 NE2 A:GLN410 4.1 24.4 1.0 CG A:GLN410 4.2 24.6 1.0 OD1 A:ASP411 4.4 32.2 1.0 CB A:GLN410 4.5 24.4 1.0 N A:GLY395 4.6 28.0 1.0 O A:HOH1510 4.7 39.0 1.0 CG A:GLU407 4.7 26.7 1.0 CA A:GLU407 4.8 25.7 1.0 O A:GLU407 4.9 26.4 1.0 CB A:GLU407 4.9 25.9 1.0 OD1 A:ASP396 5.0 33.9 1.0

Calcium binding site 2 out of 2 in the Human Nuclear Receptor-Ligand Complex 2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Nuclear Receptor-Ligand Complex 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2303 b:22.1 occ:1.00 O B:HOH2578 2.1 22.0 1.0 OE2 B:GLU407 2.3 20.1 1.0 OE1 B:GLN410 2.4 21.6 1.0 O B:HOH2428 2.6 17.3 1.0 CD B:GLU407 3.3 22.9 1.0 CD B:GLN410 3.4 20.2 1.0 OE1 B:GLU407 3.6 26.0 1.0 CG B:GLN410 4.1 18.3 1.0 NE2 B:GLN410 4.3 18.6 1.0 CB B:GLN410 4.4 19.6 1.0 O B:HOH2560 4.5 49.1 1.0 OD2 B:ASP411 4.6 22.4 1.0 N B:GLY395 4.6 23.3 1.0 CG B:GLU407 4.7 21.6 1.0 O B:GLU407 4.9 22.1 1.0 OD1 B:ASP396 4.9 33.8 1.0 CA B:GLU407 4.9 21.9 1.0

S.A.Fyffe, M.S.Alphey, L.Buetow, T.K.Smith, M.A.J.Ferguson, M.D.Sorensen, F.Bjorkling, W.N.Hunter. Recombinant Human Ppar-Beta/Delta Ligand-Binding Domain Is Locked in An Activated Conformation By Endogenous Fatty Acids J.Mol.Biol. V. 356 1005 2006.
ISSN: ISSN 0022-2836
PubMed: 16405912
DOI: 10.1016/J.JMB.2005.12.047