Structure of PDB 1izc Chain A Binding Site BS01

Receptor Information
>1izc Chain A (length=299) Species: 108330 (Macrophoma commelinae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKSYSEQPELHAKAPYRSAMLTYPGNLRQALKDAMADPSKTLMGVAHGIP
STFVTKVLAATKPDFVWIDVEHGMFNRLELHDAIHAAQHHSEGRSLVIVR
VPKHDEVSLSTALDAGAAGIVIPHVETVEEVREFVKEMYYGPIGRRSFSP
WTFSPGIADASLFPNDPYNVATSNNHVCIIPQIESVKGVENVDAIAAMPE
IHGLMFGPGDYMIDAGLDLNGALSGVPHPTFVEAMTKFSTAAQRNGVPIF
GGALSVDMVPSLIEQGYRAIAVQFDVWGLSRLVHGSLAQARASAKQFAG
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 chain1izc Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1izc Insight into a natural Diels-Alder reaction from the structure of macrophomate synthase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E185 D211
Binding residue
(residue number reindexed from 1)		E184 D210
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H73 R101 D115 E185 D211
Catalytic site (residue number reindexed from 1) H72 R100 D114 E184 D210
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1izc, PDBe:1izc, PDBj:1izc
PDBsum1izc
PubMed12634789
UniProtQ9UVD4

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