Structure of PDB 2h8g Chain A Binding Site BS01

Receptor Information
>2h8g Chain A (length=246) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILRPISSVVFVIAMQAEALPLVNKFGLSETTDSPLGKGLPWVLYHGVHKD
LRINVVCPGRDAALGIDSVGTVPASLITFASIQALKPDIIINAGTCGGFK
VKGANIGDVFLVSDVVFHDRRIPIPMFDLYGVGLRQAFSTPNLLKELNLK
IGRLSTGDSLDMSTQDETLIIANDATLKDMEGAAVAYVADLLKIPVVFLK
AVTDLVDGDKPTAEEFLQNLTVVTAALEGTATKVINFINGRNLSDL
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain2h8g Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h8g Crystal structure of 5'-methylthioadenosine nucleosidase from Arabidopsis thaliana at 1.5-A resolution
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C117 G118 L181 K199 D200 M201 D225 F237
Binding residue
(residue number reindexed from 1)		C96 G97 L160 K178 D179 M180 D204 F216
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.2.16: methylthioadenosine nucleosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008930 methylthioadenosine nucleosidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0009086 methionine biosynthetic process
GO:0009116 nucleoside metabolic process
GO:0010087 phloem or xylem histogenesis
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2h8g, PDBe:2h8g, PDBj:2h8g
PDBsum2h8g
PubMed16909418
UniProtQ9T0I8|MTN1_ARATH 5'-methylthioadenosine nucleosidase (Gene Name=MTN1)

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