Structure of PDB 1wta Chain A Binding Site BS01

Receptor Information
>1wta Chain A (length=273) Species: 272557 (Aeropyrum pernix K1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EITRPPGVRAHVGVIGGSGLYDPGIVENPVEVKVSTPYGNPSDFIVVGDV
AGVKVAFLPRHGRGHRIPPHAINYRANIWALKALGVKWVISVSAVGSLRE
DYRPGDFVVPDQFIDMTKNRRHYTFYDGPVTVHVSMADPFCEDLRQRLID
SGRRLGYTVHERGTYVCIEGPRFSTRAESRVWKDVFKADIIGMTLVPEIN
LACEAQLCYATLAMVTDYDVWADRPVTAEEVERVMISNVERARRMLYDVI
PKLAGEPELERCSCCRALDTAAI
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 chain1wta Chain A Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wta Crystal Structure of 5'-Deoxy-5'-methylthioadenosine from Aeropyrum pernix (R32 form)
Resolution1.78 Å
Binding residue
(original residue number in PDB)		V97 G98 F175 I193 D219 D221
Binding residue
(residue number reindexed from 1)		V95 G96 F173 I191 D217 D219
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D219 D221
Catalytic site (residue number reindexed from 1) D217 D219
Enzyme Commision number 2.4.2.28: S-methyl-5'-thioadenosine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0017061 S-methyl-5-thioadenosine phosphorylase activity
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0009116 nucleoside metabolic process
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:1wta, PDBe:1wta, PDBj:1wta
PDBsum1wta
PubMed
UniProtQ9YAQ8|MTAP_AERPE S-methyl-5'-thioadenosine phosphorylase (Gene Name=mtnP)

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