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Fluorine in PDB 6c57: Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109

Enzymatic activity of Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109

All present enzymatic activity of Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109:
2.5.1.1; 2.5.1.10; 2.5.1.29;

Protein crystallography data

The structure of Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109, PDB code: 6c57 was solved by J.Park, X.Bin, F.Vincent, Y.S.Tsantrizos, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 97.24 / 3.50
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 185.450, 185.450, 114.200, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 25.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109 (pdb code 6c57). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109, PDB code: 6c57:

Fluorine binding site 1 out of 1 in 6c57

Go back to Fluorine Binding Sites List in 6c57
Fluorine binding site 1 out of 1 in the Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Mutant Human Geranylgeranyl Pyrophosphate Synthase (Y246D) in Complex with Bisphosphonate Inhibitor FV0109 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:0.1
occ:1.00
 FBA B:FV9401 0.0 0.1 1.0
CAX B:FV9401 1.2 0.6 1.0
CAW B:FV9401 2.2 1.0 1.0
CAY B:FV9401 2.3 0.7 1.0
CD2 B:LEU155 2.9 0.5 1.0
CB B:SER60 3.0 0.1 1.0
OG B:SER60 3.3 0.8 1.0
CD1 B:LEU122 3.3 0.2 1.0
CAV B:FV9401 3.5 0.3 1.0
CAZ B:FV9401 3.5 0.7 1.0
CD2 B:LEU122 3.7 0.4 1.0
CG B:LEU155 3.8 0.6 1.0
CD1 B:LEU155 3.9 0.6 1.0
CAT B:FV9401 4.0 0.3 1.0
CG B:LEU122 4.1 0.6 1.0
CB B:LEU155 4.3 0.7 1.0
O B:LYS151 4.4 0.4 1.0
O B:LEU56 4.5 0.7 1.0
CA B:SER60 4.5 0.6 1.0
O B:HIS57 4.7 0.6 1.0
ND1 B:HIS57 4.7 0.9 1.0
CA B:HIS57 4.7 0.9 1.0
CB B:LEU122 4.9 0.6 1.0

Reference:

C.M.Lacbay, D.D.Waller, J.Park, M.Gomez Palou, F.Vincent, X.F.Huang, V.Ta, A.M.Berghuis, M.Sebag, Y.S.Tsantrizos. Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (Ggpps) Inhibitors. J. Med. Chem. V. 61 6904 2018.
ISSN: ISSN 1520-4804
PubMed: 30016091
DOI: 10.1021/ACS.JMEDCHEM.8B00886
Page generated: Thu Aug 1 18:29:34 2024

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