Structure of PDB 2z7h Chain A Binding Site BS02

Receptor Information
>2z7h Chain A (length=308) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKMEAKIDELINNDPVWSSQNESLISKPYNHILLRLNLIVQINRVMNLPK
DQLAIVSQIVELLHNSSLLIDDIEDNAPLRRGQTTSHLIFGVPSTINTAN
YMYFRAMQLVSQLTTKEPLYHNLITIFNEELINLHRGQGLDIYWRDFLPE
IIPTQEMYLNMVMNKTGGLFRLTLRLMEALSPSGHSLVPFINLLGIIYQI
RDDYLNLKDFQMGFAEDITEGKLSFPIVHALNFTKTKGQTEQHNEILRIL
LLRTSDKDIKLKLIQILEFDTNSLAYTKNFINQLVNMIKNDNENKYLPEL
LYIIDHLS
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 A Residue 1302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		R44 H73 D80 R89 K174 F179 Y210 D214 K238
Binding residue
(residue number reindexed from 1)		R35 H64 D71 R80 K165 F170 Y198 D202 K222
Annotation score1
Binding affinityMOAD: Ki=115nM
PDBbind-CN: -logKd/Ki=6.94,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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2z7h, PDBe:2z7h, PDBj:2z7h
PDBsum2z7h
PubMed18442135
UniProtQ12051|GGPPS_YEAST Geranylgeranyl pyrophosphate synthase BTS1 (Gene Name=BTS1)

[Back to BioLiP]