Structure of PDB 7w6f Chain B Binding Site BS01

Receptor Information
>7w6f Chain B (length=104) Species: 3483 (Cannabis sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGMAVKHLIVLKFKDEITEAQKEEFIKTYVNLVNIIPAMKDVYWGKDVT
QKNKEEGYTHIVEVTFESVETIQDYIIHPAHVGFGDVYRSFWEKLLIFDY
TPRK
Ligand information
Ligand ID8I6
InChIInChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-12-10-13(17)11-14(18)15(12)16(19)20/h10-11,17-18H,2-9H2,1H3,(H,19,20)
InChIKeyPTAHKOJJUSGQFK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCc1cc(O)cc(O)c1C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCc1cc(cc(c1C(=O)O)O)O
FormulaC16 H24 O4
Name2-nonyl-4,6-bis(oxidanyl)benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain7w6f Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7w6f Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		H5 F23 Y72 I73 H78 L92 I94
Binding residue
(residue number reindexed from 1)		H8 F26 Y75 I76 H81 L95 I97
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7w6f, PDBe:7w6f, PDBj:7w6f
PDBsum7w6f
PubMed34939812
UniProtI6WU39|OLIAC_CANSA Olivetolic acid cyclase (Gene Name=OAC)

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