Calcium in PDB 3vj9: Crystal Structure of the Human Squalene Synthase

All present enzymatic activity of Crystal Structure of the Human Squalene Synthase:
2.5.1.21;

The structure of Crystal Structure of the Human Squalene Synthase, PDB code: 3vj9 was solved by C.I.Liu, W.Y.Jeng, W.J.Chang, A.H.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.70 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.776, 76.657, 82.501, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 21.4

The structure of Crystal Structure of the Human Squalene Synthase also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Calcium atom in the Crystal Structure of the Human Squalene Synthase (pdb code 3vj9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Human Squalene Synthase, PDB code: 3vj9:

Calcium binding site 1 out of 1 in the Crystal Structure of the Human Squalene Synthase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Human Squalene Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:52.4 occ:1.00 OD2 A:ASP80 2.0 32.4 1.0 O A:HOH847 2.1 39.5 1.0 OD2 A:ASP84 2.1 33.3 1.0 O A:HOH846 2.3 37.8 1.0 OE1 A:GLU83 2.4 34.3 1.0 O A:HOH469 2.6 21.2 1.0 CG A:ASP84 2.9 28.1 1.0 OD1 A:ASP84 3.0 33.9 1.0 CG A:ASP80 3.2 27.9 1.0 CD A:GLU83 3.4 32.2 1.0 OD1 A:ASP80 3.6 32.6 1.0 O A:HOH573 3.9 29.4 1.0 O A:ASP80 4.1 23.6 1.0 OE2 A:GLU83 4.1 33.2 1.0 CG A:GLU83 4.2 28.9 1.0 CB A:GLU83 4.2 26.0 1.0 CB A:ASP84 4.3 26.2 1.0 CB A:ASP80 4.4 24.3 1.0 NH2 A:ARG228 4.4 44.8 1.0 N A:ASP84 4.6 25.6 1.0 CA A:ASP80 4.6 22.6 1.0 CA A:ASP84 4.7 26.5 1.0 OH A:TYR171 4.8 31.4 1.0 C A:ASP80 4.8 22.9 1.0

C.I.Liu, W.Y.Jeng, W.J.Chang, T.P.Ko, A.H.J.Wang. Binding Modes of Zaragozic Acid A to Human Squalene Synthase and Staphylococcal Dehydrosqualene Synthase J.Biol.Chem. V. 287 18750 2012.
ISSN: ISSN 0021-9258
PubMed: 22474324
DOI: 10.1074/JBC.M112.351254