Magnesium in PDB 3v1x: Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate, PDB code: 3v1x 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)	46.38 / 1.96
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.635, 99.635, 104.811, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.9

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate (pdb code 3v1x). 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 2-Fluorogeranyl Diphosphate, PDB code: 3v1x:
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 2-Fluorogeranyl Diphosphate


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 2-Fluorogeranyl Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:31.8 occ:1.00 O2A A:0FV503 2.0 29.1 1.0 OE2 A:GLU353 2.1 30.3 1.0 O1B A:0FV503 2.2 30.4 1.0 OD1 A:ASN345 2.3 31.0 1.0 O A:HOH797 2.3 25.0 1.0 OG A:SER349 2.4 26.1 1.0 PA A:0FV503 3.1 28.7 1.0 CD A:GLU353 3.2 28.5 1.0 PB A:0FV503 3.2 34.4 1.0 CG A:ASN345 3.2 27.7 1.0 CB A:SER349 3.3 30.0 1.0 O3A A:0FV503 3.5 37.7 1.0 OE1 A:GLU353 3.5 27.8 1.0 ND2 A:ASN345 3.5 20.9 1.0 O A:HOH819 3.6 36.6 1.0 O1 A:0FV503 3.7 33.2 1.0 O A:HOH798 3.7 31.2 1.0 NH1 A:ARG300 4.0 23.5 1.0 O A:ASN345 4.0 20.3 1.0 O3B A:0FV503 4.1 29.2 1.0 O2B A:0FV503 4.3 32.8 1.0 O1A A:0FV503 4.4 35.3 1.0 C A:ASN345 4.4 22.0 1.0 CG A:GLU353 4.5 27.4 1.0 CB A:ASN345 4.6 18.8 1.0 C1 A:0FV503 4.7 33.7 1.0 N A:ASP346 4.7 19.6 1.0 CA A:SER349 4.7 16.8 1.0 O A:HOH657 4.8 28.9 1.0 CA A:ASP346 4.9 21.4 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 2-Fluorogeranyl Diphosphate


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 2-Fluorogeranyl Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:42.3 occ:0.50 O1A A:0FV503 2.0 35.3 1.0 O A:HOH737 2.3 36.3 1.0 O A:HOH800 2.3 30.5 1.0 O A:HOH799 2.4 35.5 1.0 O A:HOH839 2.5 40.1 0.5 O A:HOH801 2.5 33.8 1.0 PA A:0FV503 3.4 28.7 1.0 OD1 A:ASP197 3.7 75.4 1.0 O A:HOH802 3.8 46.1 1.0 O2A A:0FV503 3.9 29.1 1.0 O A:HOH798 4.0 31.2 1.0 O3A A:0FV503 4.3 37.7 1.0 O1 A:0FV503 4.4 33.2 1.0 F2 A:0FV503 4.4 45.4 1.0 OE1 A:GLU281 4.5 32.2 1.0 OE2 A:GLU281 4.5 33.0 1.0 CG A:ASP197 4.6 75.5 1.0 O A:HOH819 4.7 36.6 1.0 C2 A:0FV503 4.7 31.2 1.0 OD1 A:ASN303 4.8 19.0 1.0 CE1 A:HIS360 4.8 33.9 1.0 ND2 A:ASN303 4.9 19.2 1.0 CD A:GLU281 4.9 30.7 1.0

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