Structure of PDB 1m4n Chain A Binding Site BS01

Receptor Information
>1m4n Chain A (length=421) Species: 3750 (Malus domestica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSRNATYFLGWQEYEKNPYHEVHNTNGIIQMGLAENQLCFDLLESWLAKN
PEAAAFKKNGESIFAELALFQDYHGLPAFKKAMVDFMAEIRGNKVTFDPN
HLVLTAGATSANETFIFCLADPGEAVLIPTPYYPGFDRDLKWRTGVEIVP
IHCTSSNGFQITETALEEAYQEAEKRNLRVKGVLVTNPSNPLGTTMTRNE
LYLLLSFVEDKGIHLISDEIYSGTAFSSPSFISVMEVLKDRNCDENSEVW
QRVHVVYSLSKDLGLPGFRVGAIYSNDDMVVAAATKMSSFGLVSSQTQHL
LSAMLSDKKLTKNYIAENHKRLKQRQKKLVSGLQKSGISCLNGNAGLFCW
VDMRHLLRSNTFEAEMELWKKIVYEVHLNISPGSSCHCTEPGWFRVCFAN
LPERTLDLAMQRLKAFVGEYY
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 chain1m4n 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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PDB1m4n Structure of 1-aminocyclopropane-1-carboxylate synthase in complex with an amino-oxy analogue of the substrate: implications for substrate binding.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		G119 A120 T121 Y145 D230 I232 Y233 S270 S272 K273 R281
Binding residue
(residue number reindexed from 1)		G107 A108 T109 Y133 D218 I220 Y221 S258 S260 K261 R269
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y145 D230 I232 K273
Catalytic site (residue number reindexed from 1) Y133 D218 I220 K261
Enzyme Commision number 1.4.-.-
4.4.1.14: 1-aminocyclopropane-1-carboxylate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0016491 oxidoreductase activity
GO:0016829 lyase activity
GO:0016847 1-aminocyclopropane-1-carboxylate synthase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic 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:1m4n, PDBe:1m4n, PDBj:1m4n
PDBsum1m4n
PubMed12686108
UniProtP37821|1A1C_MALDO 1-aminocyclopropane-1-carboxylate synthase (Gene Name=ACS-1)

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