Structure of PDB 2z4y Chain A Binding Site BS02

Receptor Information
>2z4y 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]
NKMEAKIDELINNDPVWSSQNESLISKPYNHILLKPGRLNLIVQINRVMN
LPKDQLAIVSQIVELLHNSSLLIDDIEDNAPLRRGQTTSHLIFGVPSTIN
TANYMYFRAMQLVSQLTTKEPLYHNLITIFNEELINLHRGQGLDIYWRDF
LPEIIPTQEMYLNMVMNKTGGLFRLTLRLMEALSPSLVPFINLLGIIYQI
RDDYLNLKDFQKGFAEDITEGKLSFPIVHALNFTKTKGQTEQHNEILRIL
LLRTSDKDIKLKLIQILEFDTNSLAYTKNFINQLVNMIKND
Ligand information
Ligand ID252
InChIInChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKeyCOHUUYPEYRMWTH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)C(O)(CCCCCCCC)P(=O)(O)O
CACTVS 3.341CCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
FormulaC9 H22 O7 P2
Name(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
ChEMBLCHEMBL110971
DrugBankDB06931
ZINCZINC000024951633
PDB chain2z4y Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z4y Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G40 R44 H73 R89 R90
Binding residue
(residue number reindexed from 1)		G37 R38 H67 R83 R84
Annotation score1
Binding affinityMOAD: ic50=0.71uM
PDBbind-CN: -logKd/Ki=6.15,IC50=0.71uM
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:2z4y, PDBe:2z4y, PDBj:2z4y
PDBsum2z4y
PubMed18800762
UniProtQ12051|GGPPS_YEAST Geranylgeranyl pyrophosphate synthase BTS1 (Gene Name=BTS1)

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