Structure of PDB 5kod Chain D Binding Site BS02

Receptor Information
>5kod Chain D (length=566) 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
MAYFEFLPVHQELVDLVDVKLGQEYELVVTTYAGLCRYRVGDLLRVTGFK
NKAPQFSFICRKNVVLSIDSDKTDEVELQNAVKNAVTHLVPFDASLSEYT
SYADTSSIPGHYVLFWELCPIPPSVFEDCCLAVEESFNTVYRQGRVSDKS
IGPLEIKIVEPGTFDKLMDYAISLGASINQYKTPRCVKFAPIIELLNSRV
VDSYFSPKCPKWVPGH
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 D 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 A339
Binding residue
(residue number reindexed from 1)		K145 P158 L160 F217 A324
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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