Structure of PDB 3snm Chain A Binding Site BS03

Receptor Information
>3snm Chain A (length=231) Species: 28957 (Canavalia lineata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKTNALHFVFNQFSKDQKDLILQGDATTGTDGNLEL
TRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIKSSDSHP
ADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand IDIND
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1ccc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc[nH]2
ACDLabs 10.04c1cccc2c1ccn2
FormulaC8 H7 N
NameINDOLE
ChEMBLCHEMBL15844
DrugBankDB04532
ZINCZINC000014516984
PDB chain3snm Chain A Residue 240 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3snm Interactions between indole-3-acetic acid (IAA) with a lectin from Canavalia maritima seeds reveal a new function for lectins in plant physiology.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		N14 D16 R228
Binding residue
(residue number reindexed from 1)		N14 D16 R222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3snm, PDBe:3snm, PDBj:3snm
PDBsum3snm
PubMed23727478
UniProtP81460|CONA_CANLI Concanavalin-A

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