Magnesium in PDB 1yq7: Human Farnesyl Diphosphate Synthase Complexed with Risedronate

All present enzymatic activity of Human Farnesyl Diphosphate Synthase Complexed with Risedronate:
2.5.1.10;

The structure of Human Farnesyl Diphosphate Synthase Complexed with Risedronate, PDB code: 1yq7 was solved by K.L.Kavanagh, K.Guo, F.Von Delft, C.Arrowsmith, M.Sundstrom, A.Edwards, U.Oppermann, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.34 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.946, 110.946, 70.264, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 27.4

The binding sites of Magnesium atom in the Human Farnesyl Diphosphate Synthase Complexed with Risedronate (pdb code 1yq7). 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 Risedronate, PDB code: 1yq7:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Human Farnesyl Diphosphate Synthase Complexed with Risedronate


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 Risedronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg907 b:14.1 occ:1.00 O A:HOH1010 1.9 2.0 1.0 O15 A:RIS901 2.1 20.8 1.0 OD2 A:ASP117 2.2 26.2 1.0 OD2 A:ASP121 2.2 19.2 1.0 O12 A:RIS901 2.2 18.6 1.0 OD1 A:ASP117 2.4 2.0 1.0 CG A:ASP117 2.6 28.2 1.0 O A:HOH1019 2.7 2.0 1.0 MG A:MG909 2.7 11.8 1.0 CG A:ASP121 3.2 16.1 1.0 P14 A:RIS901 3.4 25.3 1.0 P9 A:RIS901 3.5 24.5 1.0 CB A:ASP121 3.6 9.4 1.0 O A:ASP117 3.6 7.3 1.0 O A:HOH1014 3.7 21.0 1.0 C8 A:RIS901 3.8 20.9 1.0 O16 A:RIS901 3.8 25.9 1.0 C7 A:RIS901 3.9 21.3 1.0 CB A:ASP117 4.1 18.6 1.0 C A:ASP117 4.2 15.5 1.0 OD1 A:ASP121 4.3 8.7 1.0 O11 A:RIS901 4.5 12.4 1.0 O A:HOH1004 4.5 4.3 1.0 O10 A:RIS901 4.6 9.1 1.0 O17 A:RIS901 4.6 14.8 1.0 C2 A:RIS901 4.7 20.3 1.0 CA A:ASP117 4.8 16.7 1.0 OG A:SER123 4.8 11.2 1.0 O A:HOH1049 4.8 4.8 1.0 OD1 A:ASP118 4.8 2.0 1.0 N A:ASP118 4.9 2.0 1.0 C1 A:RIS901 5.0 24.4 1.0 O A:HOH1012 5.0 11.5 1.0

Magnesium binding site 2 out of 3 in the Human Farnesyl Diphosphate Synthase Complexed with Risedronate


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 Risedronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg908 b:13.9 occ:1.00 O A:HOH1050 2.0 13.6 1.0 O A:HOH1051 2.1 22.4 1.0 O16 A:RIS901 2.1 25.9 1.0 O11 A:RIS901 2.1 12.4 1.0 OD2 A:ASP257 2.2 23.4 1.0 CG A:ASP257 3.2 18.9 1.0 P9 A:RIS901 3.4 24.5 1.0 P14 A:RIS901 3.5 25.3 1.0 OD1 A:ASP257 3.7 19.8 1.0 O13 A:RIS901 3.7 30.4 1.0 C8 A:RIS901 3.8 20.9 1.0 O A:HOH1012 3.8 11.5 1.0 OD1 A:ASP261 3.9 17.9 1.0 NZ A:LYS271 4.0 18.4 1.0 O12 A:RIS901 4.0 18.6 1.0 O A:ASP257 4.0 15.4 1.0 OD2 A:ASP275 4.1 12.2 1.0 NE2 A:GLN254 4.2 19.6 1.0 O17 A:RIS901 4.3 14.8 1.0 CB A:ASP261 4.4 20.2 1.0 O15 A:RIS901 4.4 20.8 1.0 C A:ASP257 4.4 17.5 1.0 CB A:ASP257 4.4 15.5 1.0 CG A:ASP261 4.4 21.6 1.0 OD1 A:ASP275 4.5 21.9 1.0 O10 A:RIS901 4.5 9.1 1.0 OD1 A:ASP258 4.6 8.7 1.0 O A:HOH1010 4.6 2.0 1.0 CG A:ASP275 4.7 27.6 1.0 N A:ASP258 4.9 17.3 1.0 CA A:ASP257 5.0 16.9 1.0

Magnesium binding site 3 out of 3 in the Human Farnesyl Diphosphate Synthase Complexed with Risedronate


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 Risedronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg909 b:11.8 occ:1.00 O A:HOH1014 2.1 21.0 1.0 O15 A:RIS901 2.1 20.8 1.0 OD2 A:ASP121 2.2 19.2 1.0 OD1 A:ASP117 2.2 2.0 1.0 MG A:MG907 2.7 14.1 1.0 O A:HOH1037 2.8 5.5 1.0 CG A:ASP121 3.3 16.1 1.0 P14 A:RIS901 3.4 25.3 1.0 CG A:ASP117 3.4 28.2 1.0 OD2 A:ASP188 3.5 24.0 1.0 O17 A:RIS901 3.6 14.8 1.0 OD1 A:ASP121 3.7 8.7 1.0 NE2 A:GLN185 3.8 8.5 1.0 OD2 A:ASP117 4.0 26.2 1.0 OE1 A:GLN185 4.0 9.1 1.0 O A:HOH1010 4.3 2.0 1.0 O16 A:RIS901 4.3 25.9 1.0 CD A:GLN185 4.3 16.1 1.0 NZ A:LYS280 4.4 7.3 1.0 CG A:ASP188 4.4 15.8 1.0 C1 A:RIS901 4.4 24.4 1.0 C2 A:RIS901 4.4 20.3 1.0 O A:ASP117 4.4 7.3 1.0 O12 A:RIS901 4.5 18.6 1.0 C7 A:RIS901 4.5 21.3 1.0 CB A:ASP117 4.5 18.6 1.0 C8 A:RIS901 4.5 20.9 1.0 O A:HOH1012 4.6 11.5 1.0 CB A:ASP121 4.6 9.4 1.0 OD1 A:ASP188 4.7 11.4 1.0 NZ A:LYS214 4.8 7.3 1.0 C6 A:RIS901 4.9 7.8 1.0

K.L.Kavanagh, K.Guo, U.Oppermann. Human Farnesyl Diphosphate Complexed with Clinical Inhibitor Risedronate To Be Published.