Structure of PDB 7un2 Chain A Binding Site BS03

Receptor Information
>7un2 Chain A (length=232) Species: 3825 (Canavalia rosea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSTNALHFVFNQFSKDQKDLILQGDATTGTDGNLE
LTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIKSSDSH
PADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand ID3IB
InChIInChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
InChIKeyJTEDVYBZBROSJT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCCC(=O)O
ACDLabs 10.04O=C(O)CCCc2c1ccccc1nc2
FormulaC12 H13 N O2
Name3-INDOLEBUTYRIC ACID
ChEMBLCHEMBL582878
DrugBankDB02740
ZINCZINC000000057378
PDB chain7un2 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7un2 Structural analysis of Canavalia maritima lectin complexed with auxins
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T49 N131
Binding residue
(residue number reindexed from 1)		T49 N126
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:7un2, PDBe:7un2, PDBj:7un2
PDBsum7un2
PubMed
UniProtA0A6M6R659;
A0A8E6Z6W6

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