Structure of PDB 2z7h Chain B Binding Site BS01

Receptor Information
>2z7h Chain B (length=297) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMEAKIDELINNDPVWSSQNESLISKPYNHILLKNFRLNLIVQINRVMNL
PKDQLAIVSQIVELLHNSSLLIDDIEDNAPLRRGQTTSHLIFGVPSTINT
ANYMYFRAMQLVSQLTTKEPLYHNLITIFNEELINLHRGQGLDIYWRDFL
PEIIPTQEMYLNMVMNKTGGLFRLTLRLMEALSPSHSLVPFINLLGIIYQ
IRDDYLNLKDFQMSFAEDITEGKLSFPIVHALNFTKTKGQTEQHNEILRI
LLLRTSDKDIKLKLIQILEFDTNSLAYTKNFINQLVNMIKNENKYLP
Ligand information
Ligand IDGG3
InChIInChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
InChIKeyVFLFYDXGZMGUAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O
CACTVS 3.341CN(CCCCc1ccccc1)CCC(O)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0CN(CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)C(O)(P(=O)(O)O)CCN(C)CCCCc1ccccc1
FormulaC14 H25 N O7 P2
Name{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID)
ChEMBLCHEMBL56073
DrugBank
ZINCZINC000002010268
PDB chain2z7h Chain B Residue 341 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z7h Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		H73 D80 R89 K174 L178 Q211 D214 K238
Binding residue
(residue number reindexed from 1)		H66 D73 R82 K167 L171 Q200 D203 K223
Annotation score1
Binding affinityMOAD: Ki=115nM
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:2z7h, PDBe:2z7h, PDBj:2z7h
PDBsum2z7h
PubMed18442135
UniProtQ12051|GGPPS_YEAST Geranylgeranyl pyrophosphate synthase BTS1 (Gene Name=BTS1)

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