Brand  (β version)

PDB ID: 4E1E

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Ligands
Code Name Style Show Link
0MW [2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid) PoSSuM
IPE 3-methylbut-3-enyl trihydrogen diphosphate PoSSuM
MG Magnesium ion PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4E1E   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(N-hexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
Release Data : 2013-01-16
Compound :
mol_id molecule chains synonym
1 Farnesyl pyrophosphate synthase A FPPS, farnesyl diphosphate synthase
ec: 2.5.1.10
Source :
mol_id organism_scientific expression_system
1 Trypanosoma cruzi  (taxid:5693) Escherichia coli  (taxid:469008)
gene: FPPS
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET28a
Authors : Aripirala, S., Amzel, L.M., Gabelli, S.B.
Keywords : geranyl transferase, farnesyl pyrophosphate synthase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.650 Å )
Citation :

Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.

Aripirala, S.,Szajnman, S.H.,Jakoncic, J.  et al.
(2012)  J.Med.Chem.  55 : 6445 - 6454

PubMed: 22715997
DOI: 10.1021/jm300425y

Reaction

Chain : A
UniProt : Q95WL3 (Q95WL3_TRYCR)
Reaction : -
Cofactor: Evidence: Note:
Mg(2+) ECO:0000256 | ARBA:ARBA00001946
-