Structure of PDB 3b5i Chain B Binding Site BS02

Receptor Information
>3b5i Chain B (length=340) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMHARSMLHLLEETLENVHLNSSASPPPFTAVDLGCSSGANTVHIIDFIV
KHISKRFDAAGIDPPEFTAFFSDLPSNDFNTLFQLLPPLVSNDGNRSYFV
AGVPGSFYRRLFPARTIDFFHSAFSLHWLSQVPESVTDRRSAAYNRGRVF
IHGAGEKTTTAYKRQFQADLAEFLRARAAEVKRGGAMFLVCLGRTSVDPT
DQGGAGLLFGTHFQDAWDDLVREGLVAAEKRDGFNIPVYAPSLQDFKEVV
DANGSFAIDKLVVYKGGSPLVVNEPDDASEVGRAFASSCRSVAGVLVEAH
IGEELSNKLFSRVESRATSHAKDVLVNLQFFHIVASLSFT
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 B 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)		N179 V183 D266 N269
Binding residue
(residue number reindexed from 1)		N145 V149 D232 N235
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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