Magnesium in PDB 1n1b: Crystal Structure of (+)-Bornyl Diphosphate Synthase From Sage

All present enzymatic activity of Crystal Structure of (+)-Bornyl Diphosphate Synthase From Sage:
5.5.1.8;

The structure of Crystal Structure of (+)-Bornyl Diphosphate Synthase From Sage, PDB code: 1n1b was solved by D.A.Whittington, M.L.Wise, M.Urbansky, R.M.Coates, R.B.Croteau, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.83 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.060, 116.770, 120.340, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.4

The structure of Crystal Structure of (+)-Bornyl Diphosphate Synthase From Sage also contains other interesting chemical elements:

Mercury

(Hg)

11 atoms

The binding sites of Magnesium atom in the Crystal Structure of (+)-Bornyl Diphosphate Synthase From Sage (pdb code 1n1b). 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 (+)-Bornyl Diphosphate Synthase From Sage, PDB code: 1n1b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of (+)-Bornyl Diphosphate Synthase From Sage


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 (+)-Bornyl Diphosphate Synthase From Sage within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:53.2 occ:1.00 O A:HOH1174 1.9 35.7 1.0 O A:HOH1173 2.1 45.0 1.0 O A:HOH1175 2.1 55.1 1.0 O A:HOH1172 2.1 48.9 1.0 OD1 A:ASP355 2.2 56.8 1.0 OD1 A:ASP351 2.5 41.3 1.0 OD2 A:ASP355 2.6 58.1 1.0 CG A:ASP355 2.8 52.9 1.0 CG A:ASP351 3.5 37.4 1.0 O A:HOH1132 3.6 36.0 1.0 OE1 A:GLU429 3.7 35.0 1.0 OD2 A:ASP351 3.8 42.0 1.0 O A:HOH1001 4.1 31.3 1.0 CB A:ASP355 4.2 48.5 1.0 O A:ASP351 4.6 27.6 1.0 CD2 A:TYR426 4.7 25.5 1.0 O A:HOH1130 4.7 44.6 1.0 CE2 A:TYR426 4.8 28.8 1.0 CB A:ASP351 4.8 29.1 1.0 CD A:GLU429 4.9 32.0 1.0 O A:HOH916 4.9 34.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of (+)-Bornyl Diphosphate Synthase From Sage


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 (+)-Bornyl Diphosphate Synthase From Sage within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg901 b:39.7 occ:1.00 O B:HOH1212 1.9 36.0 1.0 O B:HOH1213 2.0 37.3 1.0 O B:HOH1006 2.1 23.6 1.0 OD1 B:ASP351 2.1 29.5 1.0 O B:HOH1211 2.2 48.3 1.0 OD1 B:ASP355 2.3 35.5 1.0 OD2 B:ASP355 2.8 44.5 1.0 CG B:ASP355 2.8 39.5 1.0 CG B:ASP351 3.2 29.3 1.0 OD2 B:ASP351 3.6 31.4 1.0 O B:HOH1007 3.8 36.3 1.0 OE1 B:GLU429 3.9 32.3 1.0 CB B:ASP355 4.3 30.9 1.0 O B:ASP351 4.3 23.1 1.0 CB B:ASP351 4.5 23.0 1.0 CD2 B:TYR426 4.5 21.7 1.0 CE2 B:TYR426 4.6 23.2 1.0 O B:HOH1203 4.7 47.3 1.0 CA B:ASP351 4.8 22.6 1.0 C B:ASP351 4.8 25.5 1.0

D.A.Whittington, M.L.Wise, M.Urbansky, R.M.Coates, R.B.Croteau, D.W.Christianson. Bornyl Diphosphate Synthase: Structure and Strategy For Carbocation Manipulation By A Terpenoid Cyclase Proc.Natl.Acad.Sci.Usa V. 99 15375 2002.
ISSN: ISSN 0027-8424
PubMed: 12432096
DOI: 10.1073/PNAS.232591099