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Structure of PDB 8wkl Chain A Binding Site BS01

Receptor Information >8wkl Chain A (length=303) Species: 4060 (Rauvolfia serpentina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] LKEILIEAPSYAPNSFTFDSTNKGFYTSVQDGRVIKYEGPNSGFVDFAYA SPYWNKAFCENSTDAEKRPLCGRTYDISYNLQNNQLYIVDCYYHLSVVGS EGGHATQLATSVDGVPFKWLYAVTVDQRTGIVYFTDVSTLYDDRGVQQIM DTSDKTGRLIKYDPSTKETTLLLKELHVPGGAEVSADSSFVLVAEFLSHQ IVKYWLEGPKKGTAEVLVKIPNPGNIKRNADGHFWVSSSEELDGNMHGRV DPKGIKFDEFGNILEVIPLPPPFAGEHFEQIQEHDGLLYIGTLFHGSVGI LVY

Ligand information Ligand ID F66 InChI InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3 InChIKey CPVSLHQIPGTMLH-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.7 Cc1c(c2ccccc2[nH]1)CCN CACTVS 3.385 Cc1[nH]c2ccccc2c1CCN Formula C11 H14 N2 Name 2-(2-methyl-1H-indol-3-yl)ethanamine; 2-Methyltryptamine ChEMBL CHEMBL2358910 DrugBank ZINC ZINC000000140764 PDB chain 8wkl Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 8wkl Proxy-approach in understanding the bisubstrate activity of strictosidine synthases. Resolution 2.67 Å Binding residue (original residue number in PDB) F226 G254 F308 E309 Binding residue (residue number reindexed from 1) F196 G224 F278 E279 Annotation score 2

Enzymatic activity Enzyme Commision number 4.3.3.2: Transferred entry: 3.5.99.13.

Gene Ontology Molecular Function GO:0016787 hydrolase activity GO:0016844 strictosidine synthase activity

	Biological Process
GO:0009058	biosynthetic process
GO:0009820	alkaloid metabolic process

	Cellular Component
GO:0005773	vacuole
GO:0012505	endomembrane system

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