Structure of PDB 7dly Chain B Binding Site BS01

Receptor Information
>7dly Chain B (length=401) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNNNVELSRVAVSDTHGEDSPYFAGWKAYDENPYDESHNPSGVIQMGLAE
NQVSFDLLETYLTFRQAMASFMEQIRGGKARFDPDRIVLTAGATAANELL
TFILADPNDALLVPTPYYPGFDRDLRWRTGVKIVPIHCDSSNHFQITPEA
LESAYQTARDANIRVRGVLITNPSNPLGATVQKKVLEDLLDFCVRKNIHL
VSDEIYSGSVFHASEFTSVAEIVENIDDVSVKERVHIVYSLSKDLGLPGF
RVGTIYSYNDNVVRTARRMSSFTLVSSQTQHMLASMLSDEEFTEKYIRIN
RERLRRRYDTIVEGLKKAGIECLKGNAGLFCWMNLGFLLEKKTKDGELQL
WDVILKELNLNISPGSSCHCSEVGWFRVCFANMSENTLEIALKRIHEFMD
R
Ligand information
Ligand IDPPG
InChIInChI=1S/C14H20N3O8P/c1-9-13(18)11(10(6-16-9)8-25-26(21,22)23)7-17-12(14(19)20)2-4-24-5-3-15/h2,4,6,18H,3,5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+,17-12+
InChIKeyOBCQKAZQAHYUOZ-CALQLVRRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=COCCN)C(=O)O)O
ACDLabs 12.01O=P(O)(O)OCc1cnc(c(O)c1C/N=C(\C=C\OCCN)C(=O)O)C
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(CN=C(\C=C\OCCN)C(O)=O)c1O
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(CN=C(C=COCCN)C(O)=O)c1O
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(=O)O)O
FormulaC14 H20 N3 O8 P
Name(2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
ChEMBL
DrugBankDB03287
ZINCZINC000098209316
PDB chain7dly Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7dly Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		Y33 A60 E61 A135 T136 Y160 D245 I247 Y248 S282 S284 K285 R293 R419
Binding residue
(residue number reindexed from 1)		Y22 A49 E50 A93 T94 Y118 D203 I205 Y206 S240 S242 K243 R251 R377
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.14: 1-aminocyclopropane-1-carboxylate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0016847 1-aminocyclopropane-1-carboxylate synthase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
Biological Process
GO:0009058 biosynthetic process
GO:0009693 ethylene biosynthetic process
GO:0009835 fruit ripening
GO:0042218 1-aminocyclopropane-1-carboxylate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7dly, PDBe:7dly, PDBj:7dly
PDBsum7dly
PubMed34757795
UniProtQ9STR4|1A17_ARATH 1-aminocyclopropane-1-carboxylate synthase 7 (Gene Name=ACS7)

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