Structure of PDB 3aq0 Chain E Binding Site BS04

Receptor Information
>3aq0 Chain E (length=325) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDPFSLVADELSLLSNKLREMVLAEVPKLASAAEYFFKRGVQGKQFRSTI
LLLMATALDTSELRVRQRGIAEITEMIHVASLLHDDVLDDADTRRGVGSL
NVVMGNKMSVLAGDFLLSRACGALAALKNTEVVALLATAVEHLVTGETME
ITSSTAARYSMDYYMQKTYYKTASLISNSCKAVAVLTGQTAEVAVLAFEY
GRNLGLAFQLIDDILDFTGTSASLGKGSLSDIRHGVITAPILFAMEEFPQ
LREVVDQVAADPRNVDIALEYLGKSKGIQRARELAMEHANLAAAAIGSLP
ETDNEDVKRSRRALIDLTHRVITRN
Ligand information
Ligand IDPPV
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)O
CACTVS 3.341O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0OP(=O)(O)OP(=O)(O)O
FormulaH4 O7 P2
NamePYROPHOSPHATE
ChEMBLCHEMBL1160571
DrugBankDB04160
ZINCZINC000006827695
PDB chain3aq0 Chain E Residue 1003 [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)		K51 R54 H100 R117
Binding residue
(residue number reindexed from 1)		K44 R47 H78 R95
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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