Sodium in PDB 3kbk: Epi-Isozizaene Synthase Complexed with Hg

All present enzymatic activity of Epi-Isozizaene Synthase Complexed with Hg:
4.2.3.37;

The structure of Epi-Isozizaene Synthase Complexed with Hg, PDB code: 3kbk was solved by J.A.Aaron, X.Lin, D.E.Cane, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.74 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.693, 46.549, 75.551, 90.00, 92.34, 90.00
R / Rfree (%)	16.9 / 20.2

The structure of Epi-Isozizaene Synthase Complexed with Hg also contains other interesting chemical elements:

Mercury	(Hg)	6 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Sodium atom in the Epi-Isozizaene Synthase Complexed with Hg (pdb code 3kbk). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Epi-Isozizaene Synthase Complexed with Hg, PDB code: 3kbk:

Sodium binding site 1 out of 1 in the Epi-Isozizaene Synthase Complexed with Hg


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Epi-Isozizaene Synthase Complexed with Hg within 5.0Å range: probe atom residue distance (Å) B Occ A:Na362 b:29.9 occ:0.50 ND1 A:HIS200 2.2 14.9 1.0 CD2 A:TRP201 2.6 16.4 1.0 CE2 A:TRP201 2.7 20.3 1.0 CE3 A:TRP201 2.7 19.2 1.0 CZ3 A:TRP201 2.9 24.1 1.0 CZ2 A:TRP201 2.9 24.2 1.0 CH2 A:TRP201 3.0 27.0 1.0 CE1 A:HIS200 3.1 18.4 1.0 CG A:HIS200 3.2 13.9 1.0 O A:HOH593 3.4 22.9 1.0 CG A:TRP201 3.4 13.5 1.0 NE1 A:TRP201 3.5 17.7 1.0 CB A:HIS200 3.5 8.9 1.0 N A:TRP201 3.7 9.5 1.0 C A:HIS200 3.8 10.8 1.0 CD1 A:TRP201 3.9 15.8 1.0 O A:HIS200 4.1 8.9 1.0 CA A:TRP201 4.1 10.9 1.0 NE2 A:HIS200 4.2 16.4 1.0 CD2 A:HIS200 4.3 15.1 1.0 CA A:HIS200 4.3 8.9 1.0 CB A:TRP201 4.4 12.5 1.0 O A:HOH606 4.4 26.8 1.0 CB A:GLN233 4.5 9.6 1.0 OG1 A:THR204 4.6 8.7 1.0 CG A:GLN233 4.6 8.5 1.0 CD1 A:LEU230 4.6 24.1 1.0

J.A.Aaron, X.Lin, D.E.Cane, D.W.Christianson. Structure of Epi-Isozizaene Synthase From Streptomyces Coelicolor A3(2), A Platform For New Terpenoid Cyclization Templates Biochemistry V. 49 1787 2010.
ISSN: ISSN 0006-2960
PubMed: 20131801
DOI: 10.1021/BI902088Z