Nickel in PDB 3vja: 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: 3vja 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)	24.50 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.008, 82.341, 77.175, 90.00, 91.57, 90.00
R / Rfree (%)	16.5 / 23.3

The binding sites of Nickel atom in the Crystal Structure of the Human Squalene Synthase (pdb code 3vja). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of the Human Squalene Synthase, PDB code: 3vja:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of the Human Squalene Synthase


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the Human Squalene Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni401 b:30.5 occ:1.00 ND1 A:HIS98 2.2 22.6 1.0 CE1 A:HIS98 3.0 23.8 1.0 CG A:HIS98 3.3 23.6 1.0 CB A:HIS98 3.7 26.0 1.0 NE2 A:HIS98 4.2 22.3 1.0 O A:HOH947 4.3 51.6 1.0 CD2 A:HIS98 4.4 23.4 1.0 CG1 A:VAL94 4.8 22.6 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of the Human Squalene Synthase


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of the Human Squalene Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni401 b:41.1 occ:1.00 ND1 B:HIS98 2.0 28.8 1.0 O B:HOH451 2.3 39.0 1.0 CE1 B:HIS98 2.9 27.6 1.0 CG B:HIS98 3.1 27.3 1.0 CB B:HIS98 3.5 28.0 1.0 NE2 B:HIS98 4.1 27.7 1.0 CD2 B:HIS98 4.2 26.3 1.0 CG1 B:VAL94 4.7 29.9 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