Structure of PDB 3bsf Chain B Binding Site BS01

Receptor Information
>3bsf Chain B (length=244) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPISTIVFIVAMQKEAQPLINRLRLVEEVNTPFPKEVTWIMFKGMYKDLN
INIVCPGKDSTLGVESVGTVPASLVTYASILAIQPDLIINAGTAGGFKAK
GACISDVYVVSTVAFHDRRIPVPVLDIYGVGMRNTFPTPNLIKELNLKVG
RLSTGDSMDMSPHDEESITANDATVKDMEGAAVAYVADIFKVPTILIKGV
TDIVDGNRPTSEEFLENLAAVTAKLDESLTKVIDFISGKCLSDL
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 chain3bsf Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bsf Crystal structure of the MTA/SAH nucleosidase
Resolution2.9 Å
Binding residue
(original residue number in PDB)		A104 G105 K186 D187 F224
Binding residue
(residue number reindexed from 1)		A94 G95 K176 D177 F214
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.2.9: adenosylhomocysteine nucleosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008782 adenosylhomocysteine nucleosidase 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

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Molecular Function
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Biological Process
External links
PDB RCSB:3bsf, PDBe:3bsf, PDBj:3bsf
PDBsum3bsf
PubMed
UniProtQ7XA67|MTN2_ARATH 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Gene Name=MTN2)

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