Structure of PDB 6if8 Chain A Binding Site BS01

Receptor Information
>6if8 Chain A (length=227) Species: 380703 (Aeromonas hydrophila subsp. hydrophila ATCC 7966) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMDPEFMKVGIIGAMEQEVALLRSQMSNPTTLQLGGCEFYQGTLAGKEVI
LTRSGIGKVAASVATSLLLEKFAPDCVINTGSAGGFAQDLHIGDVVIASE
MRFHDVDVTAFGYEMGQMAQQPAAFPCDETLIAVAQDCKVGLICTGDQFM
CKPDAIAKARADFPQMLAVEMEGAAIGQVCHMFKVPYLVVRAMSDIAGKE
QVESFDAFIEVAGKHSAEVIIKMLGKL
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 chain6if8 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6if8 Aeromonas hydrophila MtaN-2 complexed with adenine
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A77 G78 F152 M153 M174 D198 F208
Binding residue
(residue number reindexed from 1)		A83 G84 F149 M150 M171 D195 F205
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:0009164 nucleoside catabolic process
GO:0019284 L-methionine salvage from S-adenosylmethionine
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6if8, PDBe:6if8, PDBj:6if8
PDBsum6if8
PubMed
UniProtA0KIZ1|MTNN_AERHH 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Gene Name=mtnN)

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