Magnesium in PDB 1kiz: D100E Trichodiene Synthase Complexed with Pyrophosphate

All present enzymatic activity of D100E Trichodiene Synthase Complexed with Pyrophosphate:
4.1.99.6;

The structure of D100E Trichodiene Synthase Complexed with Pyrophosphate, PDB code: 1kiz 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)	24.49 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.723, 122.723, 151.010, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 25.2

The binding sites of Magnesium atom in the D100E Trichodiene Synthase Complexed with Pyrophosphate (pdb code 1kiz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the D100E Trichodiene Synthase Complexed with Pyrophosphate, PDB code: 1kiz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the D100E Trichodiene Synthase Complexed with Pyrophosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of D100E Trichodiene Synthase Complexed with Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:45.9 occ:1.00 O4 B:POP700 2.5 0.7 1.0 OG B:SER229 2.7 63.5 1.0 O1 B:POP700 2.7 0.9 1.0 OD1 B:ASN225 2.9 42.9 1.0 OE2 B:GLU233 3.5 94.6 1.0 OD1 B:ASP226 3.6 46.3 1.0 P2 B:POP700 3.7 0.5 1.0 OE1 B:GLU233 3.8 94.4 1.0 O B:POP700 3.8 0.2 1.0 CB B:SER229 3.9 63.9 1.0 P1 B:POP700 3.9 0.7 1.0 CD B:GLU233 3.9 94.9 1.0 O B:ASN225 4.1 45.8 1.0 CG B:ASN225 4.1 41.6 1.0 NH2 B:ARG182 4.2 40.4 1.0 CA B:ASP226 4.2 45.3 1.0 C B:ASN225 4.4 43.9 1.0 N B:ASP226 4.5 45.0 1.0 CG B:ASP226 4.5 46.2 1.0 O B:HOH808 4.6 38.2 1.0 O6 B:POP700 4.6 0.6 1.0 O5 B:POP700 4.7 0.3 1.0 ND2 B:ASN225 4.8 40.9 1.0 O2 B:POP700 4.9 0.8 1.0 O3 B:POP700 4.9 0.7 1.0 CZ B:ARG182 4.9 37.6 1.0 CB B:ASP226 5.0 44.3 1.0

Magnesium binding site 2 out of 2 in the D100E Trichodiene Synthase Complexed with Pyrophosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of D100E Trichodiene Synthase Complexed with Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:80.9 occ:1.00 O2 B:POP700 2.2 0.8 1.0 O5 B:POP700 2.5 0.3 1.0 P1 B:POP700 3.3 0.7 1.0 OE1 B:GLU100 3.4 53.1 1.0 O B:POP700 3.6 0.2 1.0 P2 B:POP700 3.6 0.5 1.0 CD B:GLU100 4.0 50.6 1.0 O1 B:POP700 4.0 0.9 1.0 OE2 B:GLU100 4.1 51.2 1.0 O4 B:POP700 4.3 0.7 1.0 O3 B:POP700 4.4 0.7 1.0 O6 B:POP700 4.8 0.6 1.0 NZ B:LYS232 4.8 83.3 1.0 OD1 B:ASP239 5.0 0.8 1.0

M.J.Rynkiewicz, D.E.Cane, D.W.Christianson. X-Ray Crystal Structures of D100E Trichodiene Synthase and Its Pyrophosphate Complex Reveal the Basis For Terpene Product Diversity. Biochemistry V. 41 1732 2002.
ISSN: ISSN 0006-2960
PubMed: 11827517
DOI: 10.1021/BI011960G