Structure of PDB 1iay Chain A Binding Site BS02

Receptor Information
>1iay Chain A (length=419) Species: 4081 (Solanum lycopersicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILSKLATNESPYFDGWKAYDSDPFHPLKNPNGVIQMGLAENQLCLDLIED
WIKRNPKGSICSSFKAIANFQDYHGLPEFRKAIAKFMEKTRGGRVRFDPE
RVVMAGGATGANETIIFCLADPGDAFLVPSPYYPAFNRDLRWRTGVQLIP
IHCESSNNFKITSKAVKEAYENAQKSNIKVKGLILTNPSNPLGTTLDKDT
LKSVLSFTNQHNIHLVCDEIYAATVFDTPQFVSIAEILDEQEMTYCNKDL
VHIVYSLSKDMGLPGFRVGIIYSFNDDVVNCARKMSSFGLVSTQTQYFLA
AMLSDEKFVDNFLRESAMRLGKRHKHFTNGLEVVGIKCLKNNAGLFCWMD
LRPLLRESTFDSEMSLWRVIINDVKLNVSPGSSFECQEPGWFRVCFANMD
DGTVDIALARIRRFVGVEK
Ligand information
Ligand IDAVG
InChIInChI=1S/C6H14N2O3/c7-2-4-11-3-1-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKeyFDDYPVBIHWFLOI-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COCCN)[C@@H](C(=O)O)N
CACTVS 3.341NCCOCC[CH](N)C(O)=O
CACTVS 3.341NCCOCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C(COCCN)C(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCOCCN
FormulaC6 H14 N2 O3
Name2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID
ChEMBL
DrugBankDB02971
ZINCZINC000003581194
PDB chain1iay Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1iay Crystal structures of 1-aminocyclopropane-1-carboxylate (ACC) synthase in complex with aminoethoxyvinylglycine and pyridoxal-5'-phosphate provide new insight into catalytic mechanisms
Resolution2.7 Å
Binding residue
(original residue number in PDB)		A54 Y152 A154
Binding residue
(residue number reindexed from 1)		A39 Y133 A135
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y152 D237 I239 K278
Catalytic site (residue number reindexed from 1) Y133 D218 I220 K259
Enzyme Commision number 4.4.1.14: 1-aminocyclopropane-1-carboxylate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1iay, PDBe:1iay, PDBj:1iay
PDBsum1iay
PubMed11431475
UniProtP18485|1A12_SOLLC 1-aminocyclopropane-1-carboxylate synthase 2 (Gene Name=ACS2)

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