Structure of PDB 2e91 Chain A Binding Site BS03

Receptor Information
>2e91 Chain A (length=296) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKMEAKIDELINNDPVWSSQNESLISKPYNHILLKPGKNFRLNLIVQINR
VMNLPKDQLAIVSQIVELLHNSSLLIDDIEDNAPLRRGQTTSHLIFGVPS
TINTANYMYFRAMQLVSQLTTKEPLYHNLITIFNEELINLHRGQGLDIYW
RDFLPEIIPTQEMYLNMVMNKTGGLFRLTLRLMEALSPSHSLVPFINLLG
IIYQIRDDYLNLKDFQMSGFAEDITEGKLSFPIVHALNFTKTKGQTEQHN
EILRILLLRTSDKDIKLKLIQILEFDTNSLAYTKNFINQLVNMIKN
Ligand information
Ligand IDZOL
InChIInChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
InChIKeyXRASPMIURGNCCH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
OpenEye OEToolkits 1.5.0c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O
FormulaC5 H10 N2 O7 P2
NameZOLEDRONIC ACID;
(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID
ChEMBLCHEMBL924
DrugBankDB00399
ZINCZINC000003803652
PDB chain2e91 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2e91 Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Resolution2.14 Å
Binding residue
(original residue number in PDB)		D80 R89 Q147 K174 D214 K238
Binding residue
(residue number reindexed from 1)		D77 R86 Q144 K171 D207 K228
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.59,Ki=0.26uM
BindingDB: IC50=6.6e+2nM,Ki=260nM
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:2e91, PDBe:2e91, PDBj:2e91
PDBsum2e91
PubMed17535895
UniProtQ12051|GGPPS_YEAST Geranylgeranyl pyrophosphate synthase BTS1 (Gene Name=BTS1)

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