Structure of PDB 7t5j Chain A Binding Site BS01

Receptor Information
>7t5j 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]
PILKEILIEAPSYAPNSFTFDSTNKGFYTSVQDGRVIKYEGPNSGFVDFA
YASPYWNKAFCENSTDAEKRPLCGRTYDISYNLQNNQLYIVDCYYHLSVV
GSEGGHATQLATSVDGVPFKWLYAVTVDQRTGIVYFTDVSTLYDDRGVQQ
IMDTSDKTGRLIKYDPSTKETTLLLKELHVPGGAEVSADSSFVLVAEFLS
HQIVKYWLEGPKKGTAEVLVKIPNPGNIKRNADGHFWVSSSEELDGNMHG
RVDPKGIKFDEFGNILEVIPLPPPFAGEHFEQIQEHDGLLYIGTLFHGSV
GILVY
Ligand information
Ligand IDXLJ
InChIInChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1
InChIKeyUNUICNBHOJTXMS-MRVPVSSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](CN)c1c[nH]c2ccccc12
ACDLabs 12.01CC(c1cnc2ccccc12)CN
OpenEye OEToolkits 2.0.7C[C@H](CN)c1c[nH]c2c1cccc2
CACTVS 3.385C[C@H](CN)c1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.7CC(CN)c1c[nH]c2c1cccc2
FormulaC11 H14 N2
Name(2S)-2-(1H-indol-3-yl)propan-1-amine
ChEMBL
DrugBank
ZINCZINC000027558642
PDB chain7t5j Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7t5j The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		Y151 F226
Binding residue
(residue number reindexed from 1)		Y123 F198
Annotation score2
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7t5j, PDBe:7t5j, PDBj:7t5j
PDBsum7t5j
PubMed
UniProtP68175|STSY_RAUSE Strictosidine synthase (Gene Name=STR1)

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