Structure of PDB 4qez Chain A Binding Site BS01

Receptor Information
>4qez Chain A (length=223) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIAVIGAMEEEVRILRDKLEQAETETVAGCEFTKGQLAGHEVILLKSGIG
KVNAAMSTTILLERYKPEKVINTGSAGGFHHSLNVGDVVISTEVRHHDVD
VTAFNYEYGQVPGMPPGFKADEALVALAEKCMQVVKGMIATGDSFMSDPN
RVAAIRDKFENLYAVEMEAAAVAQVCHQYEVPFVIIRALSDIAGKESNVS
FDQFLDQAALHSTNFIVKVLEEL
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 chain4qez Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qez Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Bacillus anthracis
Resolution2.7 Å
Binding residue
(original residue number in PDB)		A77 G78 F152 M153 E173 D198
Binding residue
(residue number reindexed from 1)		A76 G77 F145 M146 E166 D191
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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Biological Process
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Cellular Component
External links
PDB RCSB:4qez, PDBe:4qez, PDBj:4qez
PDBsum4qez
PubMed
UniProtQ81LL4|MTNN_BACAN 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Gene Name=mtnN)

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