Structure of PDB 5kod Chain B Binding Site BS02

Receptor Information
>5kod Chain B (length=573) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLDQKNKQKLQLIEELTSNADQVQRQVLEEILTRNADVEYLRRHDLNGRT
DRETFKNIMPVITYEDIEPEINRIANGDKSPILSSKPISEFLTSSGTSGG
ERKLMPTIEEELDRRSLLYSLLMPVMSQFVPGLENGKGMYFLFIKSESKT
PGGLPARPVLTSYYKSSHFKERPYDPYTNYTSPNETILCSDSYQSMYSQM
LCGLCQHQEVLRVGAVFASGFIRAIKFLEKHWIELVRDIRTGTLSSLITD
PSVREAVAKILKPSPKLADFVEFECKKSSWQGIITRLWPNTKYVDVIVTG
TMSQYIPTLDYYSNGLPLVCTMYASSECYFGVNLRPLCKPSEVSYTLIPS
MAYFEFLPVHLTEKEQQELVDLVDVKLGQEYELVVTTYAGLCRYRVGDLL
RVTGFKNKAPQFSFICRKNVVLSIDSDKTDEVELQNAVKNAVTHLVPFDA
SLSEYTSYADTSSIPGHYVLFWELCLDGNTPIPPSVFEDCCLAVEESFNT
VYRQGRVSDKSIGPLEIKIVEPGTFDKLMDYAISLGANQYKTPRCVKFAP
IIELLNSRVVDSYFSPKCPKWVP
Ligand information
Ligand IDIAC
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CC(=O)O
ACDLabs 12.01O=C(O)Cc2c1ccccc1nc2
CACTVS 3.370OC(=O)Cc1c[nH]c2ccccc12
FormulaC10 H9 N O2
Name1H-INDOL-3-YLACETIC ACID;
INDOLE ACETIC ACID
ChEMBLCHEMBL82411
DrugBankDB07950
ZINCZINC000000083860
PDB chain5kod Chain B Residue 702 [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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PDB5kod Arabidopsis thaliana GH3.5 acyl acid amido synthetase mediates metabolic crosstalk in auxin and salicylic acid homeostasis.
Resolution2.202 Å
Binding residue
(original residue number in PDB)		K160 P173 L175 F232
Binding residue
(residue number reindexed from 1)		K145 P158 L160 F217
Annotation score4
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Molecular Function
GO:0010279 indole-3-acetic acid amido synthetase activity
GO:0016874 ligase activity
Biological Process
GO:0009733 response to auxin
GO:0010120 camalexin biosynthetic process
GO:1901183 positive regulation of camalexin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5kod, PDBe:5kod, PDBj:5kod
PDBsum5kod
PubMed27849615
UniProtO81829|GH35_ARATH Indole-3-acetic acid-amido synthetase GH3.5 (Gene Name=GH3.5)

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