Structure of PDB 2fpb Chain A Binding Site BS01

Receptor Information
>2fpb Chain A (length=305) Species: 4060 (Rauvolfia serpentina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PILKEILIEAPSYAPNSFTFDSTNKGFYTSVQDGRVMKYEGPNSGFVDFA
YASPYWNKAFCENSTDAEKRPLCGRTYDISYNLQNNQMYIVDCYYHLSVV
GSEGGHATQLATSVDGVPFKWLYAVTVDQRTGIVYFTDVSTLYDDRGVQQ
IMDTSDKTGRLMKYDPSTKETTLLMKELHVPGGAEVSADSSFVLVAEFLS
HQIVKYWLEGPKKGTAEVLVKIPNPGNIKRNADGHFWVSSSEELDGNMHG
RVDPKGIKFDEFGNILEVIPLPPPFAGEHFEQIQEHDGLLYIGTLFHGSV
GILVY
Ligand information
Ligand IDTSS
InChIInChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKeyAPJYDQYYACXCRM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCN
ACDLabs 10.04c1cccc2c1c(cn2)CCN
FormulaC10 H12 N2
Name2-(1H-INDOL-3-YL)ETHANAMINE;
TRYPTAMINE
ChEMBLCHEMBL6640
DrugBankDB08653
ZINCZINC000000120144
PDB chain2fpb Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fpb The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V208 F226 F308 E309
Binding residue
(residue number reindexed from 1)		V180 F198 F280 E281
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E309
Catalytic site (residue number reindexed from 1) E281
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fpb, PDBe:2fpb, PDBj:2fpb
PDBsum2fpb
PubMed16531499
UniProtP68175|STSY_RAUSE Strictosidine synthase (Gene Name=STR1)

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