Magnesium in PDB 3bnx: Crystal Structure of Aristolochene Synthase Complexed with Farnesyl Diphosphate

All present enzymatic activity of Crystal Structure of Aristolochene Synthase Complexed with Farnesyl Diphosphate:
4.2.3.9;

The structure of Crystal Structure of Aristolochene Synthase Complexed with Farnesyl Diphosphate, PDB code: 3bnx was solved by E.Y.Shishova, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.894, 147.374, 84.206, 90.00, 97.72, 90.00
R / Rfree (%)	24 / 27.8

The binding sites of Magnesium atom in the Crystal Structure of Aristolochene Synthase Complexed with Farnesyl Diphosphate (pdb code 3bnx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Aristolochene Synthase Complexed with Farnesyl Diphosphate, PDB code: 3bnx:

Magnesium binding site 1 out of 1 in the Crystal Structure of Aristolochene Synthase Complexed with Farnesyl 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 Aristolochene Synthase Complexed with Farnesyl Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg701 b:54.4 occ:1.00 OG D:SER223 2.3 39.9 1.0 O4 D:POP4294 2.3 41.5 1.0 O D:HOH4297 2.3 38.6 1.0 O1 D:POP4294 2.4 41.8 1.0 OD1 D:ASN219 2.5 39.0 1.0 OE2 D:GLU227 2.5 69.2 1.0 CD D:GLU227 2.8 67.9 1.0 CB D:SER223 3.0 41.8 1.0 OE1 D:GLU227 3.2 67.8 1.0 CG D:ASN219 3.6 36.9 1.0 P2 D:POP4294 3.6 43.6 1.0 CG D:GLU227 3.7 67.5 1.0 P1 D:POP4294 3.7 45.2 1.0 O D:HOH4306 3.9 50.7 1.0 O D:POP4294 4.1 46.5 1.0 O5 D:POP4294 4.1 43.7 1.0 ND2 D:ASN219 4.1 38.9 1.0 O D:ASN219 4.2 35.2 1.0 CA D:SER223 4.4 40.1 1.0 O D:HOH4321 4.5 42.9 1.0 C D:ASN219 4.5 35.3 1.0 O D:SER223 4.6 42.4 1.0 O2 D:POP4294 4.6 47.0 1.0 C D:SER223 4.7 42.0 1.0 OD1 D:ASP220 4.7 36.7 1.0 O3 D:POP4294 4.8 46.1 1.0 CB D:ASN219 4.8 36.0 1.0 O6 D:POP4294 4.9 42.2 1.0 N D:ASP220 4.9 34.8 1.0 CA D:ASP220 4.9 34.3 1.0 O D:HOH4302 5.0 35.4 1.0

E.Y.Shishova, F.Yu, D.J.Miller, J.A.Faraldos, Y.Zhao, R.M.Coates, R.K.Allemann, D.E.Cane, D.W.Christianson. X-Ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest A Metal Ion Binding Sequence For Catalysis J.Biol.Chem. V. 283 15431 2008.
ISSN: ISSN 0021-9258
PubMed: 18385128
DOI: 10.1074/JBC.M800659200