Structure of PDB 1izc Chain A Binding Site BS02

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 IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain1izc Chain A Residue 2001 [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)		R101 Q183 E185 G208 P209 G210 D211
Binding residue
(residue number reindexed from 1)		R100 Q182 E184 G207 P208 G209 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
View graph for
Cellular Component
External links
PDB RCSB:1izc, PDBe:1izc, PDBj:1izc
PDBsum1izc
PubMed12634789
UniProtQ9UVD4

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