Magnesium in PDB 2opn: Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527

All present enzymatic activity of Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527:
2.5.1.10;

The structure of Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527, PDB code: 2opn was solved by R.Cao, Y.G.Gao, H.Robinson, A.Goddard, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.652, 111.652, 66.841, 90.00, 90.00, 90.00
R / Rfree (%)	27.2 / 29.8

The binding sites of Magnesium atom in the Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527 (pdb code 2opn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527, PDB code: 2opn:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg907 b:81.4 occ:0.75 O A:HOH1066 1.8 45.7 1.0 O1 A:SUF901 2.8 70.3 0.8 O4 A:SUF901 3.2 68.7 0.8 O A:HOH1068 3.4 52.7 1.0 O A:HOH1082 3.5 86.6 1.0 OD2 A:ASP117 3.5 70.6 1.0 OD2 A:ASP121 3.6 46.6 1.0 CG A:ASP121 3.7 48.3 1.0 CB A:ASP121 3.9 43.0 1.0 NH2 A:ARG126 4.0 39.6 1.0 P2 A:SUF901 4.0 68.1 0.8 CG A:ASP117 4.0 55.6 1.0 OG A:SER123 4.1 41.2 1.0 OD1 A:ASP117 4.2 62.5 1.0 OD1 A:ASP121 4.2 52.4 1.0 P1 A:SUF901 4.2 66.3 0.8 MG A:MG909 4.2 64.6 1.0 O5 A:SUF901 4.4 74.6 0.8 O7 A:SUF901 4.4 56.9 0.8 C1 A:SUF901 4.5 67.5 0.8 OD1 A:ASP118 4.6 25.4 1.0 O A:ASP117 4.7 37.0 1.0 C2 A:SUF901 4.7 69.8 0.8 O A:HOH1064 4.9 69.3 1.0 O A:HOH1099 4.9 29.8 0.5 OG1 A:THR274 5.0 52.2 1.0

Magnesium binding site 2 out of 3 in the Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg908 b:75.0 occ:1.00 OD2 A:ASP257 2.2 74.6 1.0 O4 A:SUF901 2.8 68.7 0.8 O7 A:SUF901 3.0 56.9 0.8 O6 A:SUF901 3.2 63.7 0.8 CG A:ASP257 3.3 71.0 1.0 P1 A:SUF901 3.6 66.3 0.8 O A:HOH1068 3.6 52.7 1.0 O A:ASP257 3.9 60.3 1.0 OD1 A:ASP275 3.9 49.9 1.0 NE2 A:GLN254 4.0 49.3 1.0 CB A:ASP261 4.1 69.3 1.0 CB A:ASP257 4.1 65.6 1.0 O A:HOH1081 4.1 74.5 0.5 C A:ASP257 4.1 60.7 1.0 P2 A:SUF901 4.2 68.1 0.8 OD2 A:ASP275 4.2 51.9 1.0 OD1 A:ASP258 4.3 27.3 1.0 OD1 A:ASP257 4.3 82.1 1.0 C1 A:SUF901 4.3 67.5 0.8 CG A:ASP275 4.5 48.4 1.0 N A:ASP258 4.5 55.4 1.0 O2 A:SUF901 4.5 50.4 0.8 CG A:ASP261 4.6 71.3 1.0 CA A:ASP257 4.7 64.3 1.0 CE A:LYS271 4.7 66.7 1.0 CA A:ASP258 4.7 49.6 1.0 OD1 A:ASP261 4.8 57.9 1.0 O1 A:SUF901 4.9 70.3 0.8 O5 A:SUF901 4.9 74.6 0.8

Magnesium binding site 3 out of 3 in the Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate Bph- 527 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg909 b:64.6 occ:1.00 O A:HOH1067 2.0 72.2 1.0 O1 A:SUF901 2.0 70.3 0.8 O3 A:SUF901 2.6 70.2 0.8 P2 A:SUF901 2.7 68.1 0.8 OD1 A:ASP121 2.8 52.4 1.0 OD1 A:ASP117 2.8 62.5 1.0 OD2 A:ASP121 3.1 46.6 1.0 O A:HOH1099 3.2 29.8 0.5 CG A:ASP121 3.3 48.3 1.0 OD2 A:ASP188 3.5 70.8 1.0 CG A:ASP117 3.7 55.6 1.0 OD2 A:ASP117 3.7 70.6 1.0 O7 A:SUF901 3.8 56.9 0.8 C2 A:SUF901 3.9 69.8 0.8 C1 A:SUF901 4.0 67.5 0.8 MG A:MG907 4.2 81.4 0.8 CE A:LYS280 4.3 27.9 1.0 CB A:ASP121 4.7 43.0 1.0 CG A:ASP188 4.7 61.4 1.0 O2 A:SUF901 4.8 50.4 0.8 NZ A:LYS280 4.8 38.1 1.0

Y.Zhang, R.Cao, A.Leon, R.T.Guo, K.Krysiak, F.Yin, M.P.Hudock, S.Mukherjee, Y.G.Gao, H.Robinson, Y.Song, J.H.No, W.Hong, C.Morita, A.H.-J.Wang, E.Oldfield. Bisphosphonates: Teaching Old Drugs with New Tricks To Be Published.