Structure of PDB 1iay Chain A Binding Site BS01

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 IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain1iay Chain A Residue 500 [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)		G126 A127 T128 Y152 Y240 S275 S277 K278 R286
Binding residue
(residue number reindexed from 1)		G107 A108 T109 Y133 Y221 S256 S258 K259 R267
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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