Structure of PDB 3aq0 Chain G Binding Site BS02

Receptor Information
>3aq0 Chain G (length=314) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDPFSLVADELSLLSNKLREMVLAEVPKLASAAEYFFKRGVQGKQFRSTI
LLLMATALDVTSELRVRQRGIAEITEMIHVASLLHDDVLVVMGNKMSVLA
GDFLLSRACGALAALKNTEVVALLATAVEHLVTGETMEITSSTAARYSMD
YYMQKTYYKTASLISNSCKAVAVLTGQTAEVAVLAFEYGRNLGLAFQLID
DILDFTGTSASLGKGSLSDIRHGVITAPILFAMEEFPQLREVVDQVAADP
RNVDIALEYLGKSKGIQRARELAMEHANLAAAAIGSLPETDNEDVKRSRR
ALIDLTHRVITRNK
Ligand information
Ligand IDFPP
InChIInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
InChIKeyVWFJDQUYCIWHTN-YFVJMOTDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OC/C=C(/CC\C=C(/C)CC\C=C(/C)C)C)(OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
FormulaC15 H28 O7 P2
NameFARNESYL DIPHOSPHATE
ChEMBLCHEMBL69330
DrugBankDB07780
ZINCZINC000012494625
PDB chain3aq0 Chain G Residue 1001 [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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PDB3aq0 Structure and mechanism of an Arabidopsis medium/long-chain-length prenyl pyrophosphate synthase
Resolution2.65 Å
Binding residue
(original residue number in PDB)		F53 I57 I198 F230 V343 R346 N347 K348
Binding residue
(residue number reindexed from 1)		F46 I50 I164 F196 V309 R312 N313 K314
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.85: all-trans-nonaprenyl-diphosphate synthase [geranylgeranyl-diphosphate specific].
Gene Ontology
Molecular Function
GO:0004659 prenyltransferase activity
Biological Process
GO:0008299 isoprenoid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3aq0, PDBe:3aq0, PDBj:3aq0
PDBsum3aq0
PubMed21220764
UniProtQ5HZ00|SPS3_ARATH Solanesyl diphosphate synthase 3, chloroplastic/mitochondrial (Gene Name=SPS3)

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