Structure of PDB 5b09 Chain A Binding Site BS01

Receptor Information
>5b09 Chain A (length=96) Species: 3483 (Cannabis sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKHLIVLKFKDEITEAQKEEFFKTYVNLVNIIPAMKDVYWGKDVTQKNGY
THIVEVTFESVETIQDYIIHPAHVGFGDVYRSFWEKLLIFDYTPRK
Ligand information
Ligand ID4MX
InChIInChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
InChIKeySXFKFRRXJUJGSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCCCc1cc(cc(c1C(=O)O)O)O
CACTVS 3.385CCCCCc1cc(O)cc(O)c1C(O)=O
FormulaC12 H16 O4
Name2,4-bis(oxidanyl)-6-pentyl-benzoic acid
ChEMBLCHEMBL3134414
DrugBank
ZINCZINC000013339595
PDB chain5b09 Chain A Residue 201 [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]
PDB5b09 Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H5 F23 Y72 I73 H78
Binding residue
(residue number reindexed from 1)		H3 F21 Y67 I68 H73
Annotation score3
Enzymatic activity
Enzyme Commision number 4.4.1.26: olivetolic acid cyclase.
Gene Ontology
Molecular Function
GO:0009975 cyclase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009865 pollen tube adhesion
GO:0016114 terpenoid biosynthetic process
GO:1901696 cannabinoid biosynthetic process
GO:1901697 olivetolic acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5b09, PDBe:5b09, PDBj:5b09
PDBsum5b09
PubMed26783002
UniProtI6WU39|OLIAC_CANSA Olivetolic acid cyclase (Gene Name=OAC)

[Back to BioLiP]