Magnesium in PDB 3v1v: Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and Geranyl-S-Thiolodiphosphate

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and Geranyl-S-Thiolodiphosphate, PDB code: 3v1v was solved by M.Koksal, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.98 / 1.80
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.392, 99.392, 105.742, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 17.6

The binding sites of Magnesium atom in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and Geranyl-S-Thiolodiphosphate (pdb code 3v1v). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and Geranyl-S-Thiolodiphosphate, PDB code: 3v1v:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and Geranyl-S-Thiolodiphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and Geranyl-S-Thiolodiphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:24.5 occ:1.00 OE2 A:GLU353 2.0 25.7 1.0 O2A A:GST511 2.1 18.7 0.8 O2B A:GST511 2.1 18.9 0.8 OD1 A:ASN345 2.2 19.1 1.0 O A:HOH785 2.2 19.1 1.0 OG A:SER349 2.3 18.0 1.0 CD A:GLU353 3.1 25.7 1.0 CG A:ASN345 3.2 19.3 1.0 PA A:GST511 3.2 22.5 0.8 CB A:SER349 3.2 22.2 1.0 PB A:GST511 3.3 18.4 0.8 OE1 A:GLU353 3.5 20.3 1.0 ND2 A:ASN345 3.6 14.9 1.0 O1B A:GST511 3.6 25.9 0.8 O A:HOH787 3.6 21.3 1.0 O A:HOH796 3.8 34.0 1.0 O A:ASN345 4.0 13.1 1.0 NH1 A:ARG300 4.0 16.9 1.0 O3A A:GST511 4.1 21.9 0.8 S1 A:GST511 4.2 22.5 0.8 CG A:GLU353 4.3 23.6 1.0 O1A A:GST511 4.3 19.6 0.8 O3B A:GST511 4.4 20.0 0.8 C A:ASN345 4.4 13.0 1.0 CB A:ASN345 4.5 13.3 1.0 CA A:SER349 4.7 12.9 1.0 N A:ASP346 4.7 13.2 1.0 O A:HOH547 4.8 23.6 1.0 CA A:ASP346 4.8 11.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and Geranyl-S-Thiolodiphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and Geranyl-S-Thiolodiphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:29.6 occ:1.00 O A:HOH786 2.1 24.3 1.0 O3B A:GST511 2.2 20.0 0.8 O A:HOH788 2.2 19.4 1.0 O A:HOH794 2.2 30.8 1.0 O A:HOH790 2.3 27.5 1.0 OD1 A:ASP197 2.3 18.9 0.5 CG A:ASP197 3.3 28.0 0.5 OD2 A:ASP197 3.4 21.1 0.5 PB A:GST511 3.6 18.4 0.8 OD2 A:ASP197 3.7 23.2 0.5 O A:HOH797 4.0 35.4 1.0 CG A:ASP197 4.0 29.5 0.5 OD1 A:ASP197 4.1 36.6 0.5 O2B A:GST511 4.2 18.9 0.8 O A:HOH787 4.2 21.3 1.0 OE1 A:GLU281 4.2 25.7 1.0 OE2 A:GLU281 4.4 21.7 1.0 OD1 A:ASN303 4.4 11.8 1.0 ND2 A:ASN303 4.5 16.8 1.0 O1B A:GST511 4.5 25.9 0.8 O A:HOH850 4.6 47.3 1.0 C2 A:GST511 4.7 23.0 0.8 S1 A:GST511 4.7 22.5 0.8 O A:HOH796 4.7 34.0 1.0 CE1 A:TYR278 4.7 18.9 1.0 CD A:GLU281 4.8 24.3 1.0 CB A:ASP197 4.8 25.8 0.5 CG A:ASN303 4.9 12.9 1.0 CB A:ASP197 4.9 26.3 0.5

M.Koksal, W.K.Chou, D.E.Cane, D.W.Christianson. Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor and Implications For the Cyclization of A Noncanonical C-Methylated Monoterpenoid Substrate. Biochemistry V. 51 3011 2012.
ISSN: ISSN 0006-2960
PubMed: 22455514
DOI: 10.1021/BI201827A