Structure of PDB 2qtt Chain A Binding Site BS01

Receptor Information
>2qtt Chain A (length=248) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEILRPISSVVFVIAMQAEALPLVNKFGLSETTDSPLGKGLPWVLYHGVH
KDLRINVVCPGRDAALGIDSVGTVPASLITFASIQALKPDIIINAGTCGG
FKVKGANIGDVFLVSDVVFHDRRIPIPMFDLYGVGLRQAFSTPNLLKELN
LKIGRLSTGDSLDMSTQDETLIIANDATLKDMEGAAVAYVADLLKIPVVF
LKAVTDLVDGDKPTAEEFLQNLTVVTAALEGTATKVINFINGRNLSDL
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 chain2qtt Chain A Residue 268 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qtt Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		C117 G118 L181 K199 D200 M201 D225
Binding residue
(residue number reindexed from 1)		C98 G99 L162 K180 D181 M182 D206
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:2qtt, PDBe:2qtt, PDBj:2qtt
PDBsum2qtt
PubMed18342331
UniProtQ9T0I8|MTN1_ARATH 5'-methylthioadenosine nucleosidase (Gene Name=MTN1)

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