Structure of PDB 6k2q Chain B Binding Site BS01

Receptor Information
>6k2q Chain B (length=228) 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]
GAMDPEFMKVGIIGAMEQEVALLRSQMSNPTTLQLGGCEFYQGTLAGKEV
ILTRSGIGKVAASVATSLLLEKFAPDCVINTGSAGGFAQDLHIGDVVIAS
EMRFHDVDVTAFGYEMGQMAQQPAAFPCDETLIAVAQDCKVGLICTGDQF
MCKPDAIAKARADFPQMLAVEMEGAAIGQVCHMFKVPYLVVRAMSDIAGK
EQVESFDAFIEVAGKHSAEVIIKMLGKL
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 chain6k2q Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k2q Crystal Structure of Aeromonas hydrophila Cytoplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A77 G78 F152 M153 M174 D198
Binding residue
(residue number reindexed from 1)		A84 G85 F150 M151 M172 D196
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:6k2q, PDBe:6k2q, PDBj:6k2q
PDBsum6k2q
PubMed31274299
UniProtA0KIZ1|MTNN_AERHH 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Gene Name=mtnN)

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