Structure of PDB 3b5i Chain A Binding Site BS02

Receptor Information
>3b5i Chain A (length=344) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMHARSMLHLLEETLENVHLNSSASPPPFTAVDLGCSSGANTVHIIDFIV
KHISKRFDAAGIDPPEFTAFFSDLPSNDFNTLFQLLPPLVSNTEECDGNR
SYFVAGVPGSFYRRLFPARTIDFFHSAFSLHWLSQVPESVTDRRSAAYNR
GRVFIHGAGEKTTTAYKRQFQADLAEFLRARAAEVKRGGAMFLVCLGRTS
VDPTDQGGAGLLFGTHFQDAWDDLVREGLVAAEKRDGFNIPVYAPSLQDF
KEVVDANGSFAIDKLVVYKGGSPLVVNEPDDASEVGRAFASSCRSVAGVL
VEAHIGEELSNKLFSRVESRATSHAKDVLVNLQFFHIVASLSFT
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3b5i Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b5i Structural, Biochemical, and Phylogenetic Analyses Suggest That Indole-3-Acetic Acid Methyltransferase Is an Evolutionarily Ancient Member of the SABATH Family.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		V183 R265 D266 F268 N269
Binding residue
(residue number reindexed from 1)		V153 R235 D236 F238 N239
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.278: indole-3-acetate O-methyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008168 methyltransferase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051749 indole acetic acid carboxyl methyltransferase activity
GO:0103007 indole-3-acetate carboxyl methyltransferase activity
Biological Process
GO:0009851 auxin biosynthetic process
GO:0009944 polarity specification of adaxial/abaxial axis
GO:0032259 methylation
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3b5i, PDBe:3b5i, PDBj:3b5i
PDBsum3b5i
PubMed18162595
UniProtQ9FLN8|IAMT1_ARATH Indole-3-acetate O-methyltransferase 1 (Gene Name=IAMT1)

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