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Magnesium in PDB 3cp6: Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor

Enzymatic activity of Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor

All present enzymatic activity of Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor:
2.5.1.1; 2.5.1.10;

Protein crystallography data

The structure of Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor, PDB code: 3cp6 was solved by E.S.Pilka, J.E.Dunford, K.Guo, A.C.W.Pike, F.Von Delft, B.L.Barnett, F.H.Ebetino, C.H.Arrowsmith, C.Bountra, A.M.Edwards, R.G.G.Russell, 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) 27.46 / 1.95
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 112.531, 112.531, 62.919, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 24.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor (pdb code 3cp6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor, PDB code: 3cp6:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3cp6

Go back to Magnesium Binding Sites List in 3cp6
Magnesium binding site 1 out of 3 in the Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor


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 Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:23.9
occ:1.00
 O A:HOH505 2.0 25.9 1.0
O2 A:RSX401 2.0 21.0 1.0
O A:HOH548 2.1 21.4 1.0
OD2 A:ASP103 2.1 16.2 1.0
O5 A:RSX401 2.2 22.9 1.0
OD2 A:ASP107 2.3 13.5 1.0
CG A:ASP103 3.0 15.1 1.0
MG A:MG503 3.3 12.3 1.0
CG A:ASP107 3.3 13.9 1.0
P1 A:RSX401 3.3 23.8 1.0
OD1 A:ASP103 3.3 12.4 1.0
P2 A:RSX401 3.4 20.4 1.0
C3 A:RSX401 3.7 24.7 1.0
CB A:ASP107 3.7 10.5 1.0
O A:HOH507 3.8 21.3 1.0
C2 A:RSX401 3.9 18.0 1.0
O4 A:RSX401 4.0 25.8 1.0
O A:HOH510 4.1 18.7 1.0
O1 A:RSX401 4.1 23.0 1.0
O A:HOH617 4.2 25.6 1.0
O A:ASP103 4.3 13.2 1.0
CB A:ASP103 4.3 12.8 1.0
O3 A:RSX401 4.3 23.8 1.0
OD1 A:ASP104 4.4 14.9 1.0
OD1 A:ASP107 4.4 14.6 1.0
NH2 A:ARG112 4.4 17.8 1.0
OG A:SER109 4.5 19.6 1.0
O A:HOH613 4.5 26.3 1.0
C A:ASP103 4.5 15.2 1.0
O6 A:RSX401 4.7 20.9 1.0
O A:HOH582 4.8 36.3 1.0
MG A:MG502 4.8 23.1 1.0
O A:HOH521 4.9 23.8 1.0
O A:HOH619 4.9 28.5 1.0
O A:HOH558 5.0 27.2 1.0
N A:ASP104 5.0 15.4 1.0

Magnesium binding site 2 out of 3 in 3cp6

Go back to Magnesium Binding Sites List in 3cp6
Magnesium binding site 2 out of 3 in the Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor


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 Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:23.1
occ:1.00
 O1 A:RSX401 2.0 23.0 1.0
O A:HOH537 2.0 22.6 1.0
O A:HOH617 2.1 25.6 1.0
OD2 A:ASP243 2.1 22.4 1.0
O4 A:RSX401 2.1 25.8 1.0
O A:HOH620 2.1 26.8 1.0
CG A:ASP243 3.1 25.0 1.0
P1 A:RSX401 3.2 23.8 1.0
P2 A:RSX401 3.3 20.4 1.0
OD1 A:ASP243 3.3 26.8 1.0
C3 A:RSX401 3.6 24.7 1.0
C4 A:RSX401 3.8 20.7 1.0
O2 A:RSX401 3.8 21.0 1.0
O A:HOH619 3.9 28.5 1.0
OD1 A:ASP247 4.0 28.0 1.0
O A:ASP243 4.1 23.1 1.0
O A:HOH528 4.1 37.0 1.0
O5 A:RSX401 4.1 22.9 1.0
OD1 A:ASP261 4.2 30.4 1.0
O A:HOH505 4.3 25.9 1.0
O6 A:RSX401 4.3 20.9 1.0
OD2 A:ASP261 4.4 27.0 1.0
CB A:ASP243 4.4 24.8 1.0
O3 A:RSX401 4.4 23.8 1.0
OD1 A:ASP244 4.4 21.8 1.0
C A:ASP243 4.5 22.4 1.0
NE2 A:GLN240 4.5 24.4 1.0
CG A:ASP247 4.7 30.6 1.0
CG A:ASP261 4.7 21.9 1.0
CB A:ASP247 4.7 24.7 1.0
O A:HOH507 4.8 21.3 1.0
MG A:MG501 4.8 23.9 1.0
N A:ASP244 4.9 22.1 1.0

Magnesium binding site 3 out of 3 in 3cp6

Go back to Magnesium Binding Sites List in 3cp6
Magnesium binding site 3 out of 3 in the Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:12.3
occ:1.00
 O A:HOH510 1.9 18.7 1.0
O A:HOH521 1.9 23.8 1.0
OD1 A:ASP103 2.0 12.4 1.0
O5 A:RSX401 2.1 22.9 1.0
O A:HOH558 2.1 27.2 1.0
OD2 A:ASP107 2.2 13.5 1.0
CG A:ASP103 3.0 15.1 1.0
CG A:ASP107 3.1 13.9 1.0
OD1 A:ASP107 3.2 14.6 1.0
MG A:MG501 3.3 23.9 1.0
P2 A:RSX401 3.3 20.4 1.0
OD2 A:ASP103 3.4 16.2 1.0
O6 A:RSX401 3.6 20.9 1.0
OD1 A:ASP174 4.0 28.7 1.0
NE2 A:GLN171 4.1 16.2 1.0
OE1 A:GLN171 4.2 17.6 1.0
CB A:ASP103 4.3 12.8 1.0
O A:HOH505 4.3 25.9 1.0
O A:HOH619 4.3 28.5 1.0
O4 A:RSX401 4.3 25.8 1.0
OD2 A:ASP174 4.3 15.3 1.0
CG A:ASP174 4.4 12.0 1.0
C2 A:RSX401 4.5 18.0 1.0
CB A:ASP107 4.5 10.5 1.0
C3 A:RSX401 4.6 24.7 1.0
CD A:GLN171 4.6 13.3 1.0
O A:ASP103 4.7 13.2 1.0
O2 A:RSX401 4.8 21.0 1.0
NZ A:LYS200 4.8 25.5 1.0
CA A:ASP103 4.8 14.2 1.0
NZ A:LYS266 4.9 28.4 1.0
O A:HOH548 4.9 21.4 1.0
CE A:LYS266 5.0 22.8 1.0

Reference:

E.S.Pilka, J.E.Dunford, K.Guo, A.C.W.Pike, F.Von Delft, B.L.Barnett, F.H.Ebetino, C.H.Arrowsmith, C.Bountra, A.M.Edwards, R.G.G.Russell, U.Oppermann. Human Farnesyl Diphosphate Synthase (T201A Mutant) Complexed with Mg and Biphosphonate Inhibitor. To Be Published.
Page generated: Wed Aug 14 11:35:07 2024

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