Magnesium in PDB 1jfg: Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate

All present enzymatic activity of Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate:
4.1.99.6;

The structure of Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate, PDB code: 1jfg was solved by M.J.Rynkiewicz, 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)	14.90 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.574, 122.574, 150.869, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 25.4

The binding sites of Magnesium atom in the Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate (pdb code 1jfg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate, PDB code: 1jfg:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:14.1 occ:1.00 O B:HOH1088 1.8 34.5 1.0 OE2 B:GLU233 2.0 49.1 1.0 O4 B:POP700 2.0 43.2 1.0 O1 B:POP700 2.2 40.7 1.0 OD1 B:ASN225 2.5 34.4 1.0 OG B:SER229 2.8 36.3 1.0 CD B:GLU233 3.1 49.3 1.0 P2 B:POP700 3.2 42.8 1.0 O B:POP700 3.3 42.8 1.0 P1 B:POP700 3.3 40.7 1.0 CG B:ASN225 3.6 34.1 1.0 OE1 B:GLU233 3.6 50.0 1.0 O B:HOH1091 3.9 43.4 1.0 CB B:SER229 3.9 37.9 1.0 O5 B:POP700 4.1 44.6 1.0 O B:ASN225 4.1 34.7 1.0 ND2 B:ASN225 4.1 33.9 1.0 O6 B:POP700 4.1 45.5 1.0 NH2 B:ARG182 4.2 30.7 1.0 CG B:GLU233 4.3 49.3 1.0 OD1 B:ASP226 4.3 30.7 1.0 O3 B:POP700 4.3 39.4 1.0 O2 B:POP700 4.3 40.6 1.0 C B:ASN225 4.5 33.6 1.0 O B:HOH1007 4.7 34.4 1.0 CB B:ASN225 4.7 33.0 1.0 NH1 B:ARG182 4.8 27.6 1.0 CZ B:ARG182 4.8 28.8 1.0 CA B:ASP226 4.8 33.7 1.0 N B:ASP226 4.9 33.6 1.0 CE B:LYS232 5.0 41.5 1.0

Magnesium binding site 2 out of 3 in the Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:21.4 occ:1.00 O B:HOH1089 1.9 30.3 1.0 O B:HOH1091 2.1 43.4 1.0 O5 B:POP700 2.2 44.6 1.0 O2 B:POP700 2.2 40.6 1.0 O B:HOH1090 2.3 34.4 1.0 OD2 B:ASP100 2.3 30.2 1.0 CG B:ASP100 3.0 31.0 1.0 OD1 B:ASP100 3.1 32.2 1.0 P1 B:POP700 3.2 40.7 1.0 P2 B:POP700 3.4 42.8 1.0 O B:POP700 3.5 42.8 1.0 MG B:MG703 3.6 37.6 1.0 O B:HOH1013 3.7 43.9 1.0 NH2 B:ARG304 3.7 36.2 1.0 OD1 B:ASP239 3.8 56.0 1.0 O1 B:POP700 3.9 40.7 1.0 OD1 B:ASP101 4.1 35.5 1.0 O4 B:POP700 4.2 43.2 1.0 O B:ASP100 4.2 34.2 1.0 NZ B:LYS232 4.3 39.4 1.0 O3 B:POP700 4.4 39.4 1.0 CB B:ASP100 4.5 31.6 1.0 O B:HOH1092 4.5 42.5 1.0 CG B:ASP239 4.5 54.5 1.0 O6 B:POP700 4.5 45.5 1.0 OE2 B:GLU233 4.6 49.1 1.0 C B:ASP100 4.8 34.7 1.0 OD2 B:ASP239 4.9 53.8 1.0 O B:HOH1007 4.9 34.4 1.0 CZ B:ARG304 5.0 37.7 1.0

Magnesium binding site 3 out of 3 in the Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Trichodiene Synthase From Fusarium Sporotrichioides Complexed with Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:37.6 occ:1.00 O B:HOH1092 1.9 42.5 1.0 OD1 B:ASP100 2.3 32.2 1.0 O2 B:POP700 2.3 40.6 1.0 O B:HOH1090 2.7 34.4 1.0 OE1 B:GLU164 3.4 37.0 1.0 CG B:ASP100 3.5 31.0 1.0 MG B:MG702 3.6 21.4 1.0 P1 B:POP700 3.6 40.7 1.0 O3 B:POP700 3.8 39.4 1.0 OE2 B:GLU164 3.8 37.8 1.0 CB B:ASN185 3.8 29.5 1.0 CG B:ASN185 3.9 30.6 1.0 O B:HOH1013 3.9 43.9 1.0 CD B:GLU164 4.0 37.3 1.0 OD2 B:ASP100 4.0 30.2 1.0 ND2 B:ASN185 4.2 32.0 1.0 OD1 B:ASN185 4.3 31.1 1.0 O B:HOH1091 4.4 43.4 1.0 O B:ASN185 4.4 28.1 1.0 O1 B:POP700 4.5 40.7 1.0 O B:ASP100 4.6 34.2 1.0 NH2 B:ARG238 4.6 48.8 1.0 CB B:ASP100 4.6 31.6 1.0 CE1 B:PHE157 4.6 20.3 1.0 O B:POP700 4.8 42.8 1.0 CA B:ASP100 4.9 33.2 1.0 CA B:ASN185 5.0 29.9 1.0

M.J.Rynkiewicz, D.E.Cane, D.W.Christianson. Structure of Trichodiene Synthase From Fusarium Sporotrichioides Provides Mechanistic Inferences on the Terpene Cyclization Cascade. Proc.Natl.Acad.Sci.Usa V. 98 13543 2001.
ISSN: ISSN 0027-8424
PubMed: 11698643
DOI: 10.1073/PNAS.231313098