Structure of PDB 2e92 Chain A Binding Site BS03

Receptor Information
>2e92 Chain A (length=291) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKMEAKIDELINNDPVWSSQNESLISKPYNHILLNFRLNLIVQINRVMNL
PKDQLAIVSQIVELLHNSSLLIDDIEDNAPLRRGQTTSHLIFGVPSTINT
ANYMYFRAMQLVSQLTTKEPLYHNLITIFNEELINLHRGQGLDIYWRDFL
PEIIPTQEMYLNMVMNKTGGLFRLTLRLMEALSPSLVPFINLLGIIYQIR
DDYLNLKDFQMSGFAEDITEGKLSFPIVHALNFTKTKGQTEQHNEILRIL
LLRTSDKDIKLKLIQILEFDTNSLAYTKNFINQLVNMIKND
Ligand information
Ligand IDM0N
InChIInChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
InChIKeyVMMKGHQPQIEGSQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)C(O)(P(=O)(O)O)Cc1cnc2ccccn12
OpenEye OEToolkits 1.5.0c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O
CACTVS 3.341OC(Cc1cnc2ccccn12)([P](O)(O)=O)[P](O)(O)=O
FormulaC9 H12 N2 O7 P2
Name(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID);
MINODRONATE;
1-HYDROXY-2-(5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-3-YL)ETHANE-1,1-DIYLDIPHOSPONIC ACID;
(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YL-ETHYLIDENE)-1,1-BISPHOSPHONIC ACID
ChEMBLCHEMBL319144
DrugBankDB06548
ZINCZINC000003803518
PDB chain2e92 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2e92 Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Resolution2.31 Å
Binding residue
(original residue number in PDB)		S76 D80 R89 L143 Q147 K174 D214 K238
Binding residue
(residue number reindexed from 1)		S69 D73 R82 L136 Q140 K167 D201 K222
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.89,Ki=0.13uM
BindingDB: IC50=340nM,Ki=130nM
Enzymatic activity
Enzyme Commision number 2.5.1.-
2.5.1.1: dimethylallyltranstransferase.
2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.
2.5.1.29: geranylgeranyl diphosphate synthase.
Gene Ontology
Molecular Function
GO:0004161 dimethylallyltranstransferase activity
GO:0004311 farnesyltranstransferase activity
GO:0004337 geranyltranstransferase activity
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0015031 protein transport
GO:0016114 terpenoid biosynthetic process
GO:0033384 geranyl diphosphate biosynthetic process
GO:0033386 geranylgeranyl diphosphate biosynthetic process
GO:0045337 farnesyl diphosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2e92, PDBe:2e92, PDBj:2e92
PDBsum2e92
PubMed17535895
UniProtQ12051|GGPPS_YEAST Geranylgeranyl pyrophosphate synthase BTS1 (Gene Name=BTS1)

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