Structure of PDB 3lgs Chain D Binding Site BS02

Receptor Information
>3lgs Chain D (length=245) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRPISSVVFVIAMQAEALPLVNKFGLSETTDSPLGKGLPWVLYHGVHKDL
RINVVCPGRDAALGIDSVGTVPASLITFASIQALKPDIIINAGTCGGFKV
KGANIGDVFLVSDVVFHDRRIPIPMFDLYGVGLRQAFSTPNLLKELNLKI
GRLSTGDSLDMSTQDETLIIANDATLKDMEGAAVAYVADLLKIPVVFLKA
VTDLVDGDKPTAEEFLQNLTVVTAALEGTATKVINFINGRNLSDL
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 chain3lgs Chain D Residue 269 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lgs Mechanism of substrate specificity in 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidases.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C117 G118 L181 K199 D200 M201 T224 D225
Binding residue
(residue number reindexed from 1)		C95 G96 L159 K177 D178 M179 T202 D203
Annotation score5
Binding affinityMOAD: Kd=1.7uM
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:3lgs, PDBe:3lgs, PDBj:3lgs
PDBsum3lgs
PubMed20554051
UniProtQ9T0I8|MTN1_ARATH 5'-methylthioadenosine nucleosidase (Gene Name=MTN1)

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