Structure of PDB 5vjn Chain A Binding Site BS02

Receptor Information
>5vjn Chain A (length=176) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IASYAQELKLALHQYPNFPSEGILFEDFLPIFRNPGLFQKLIDAFKLHLE
EAFPEVKIDYIVGLESRGFLFGPTLALALGVGFVPVRKAGKLPGECFKAT
YEKEYGSDLFEIQKNAIPAGSNVIIVDDIIATGGSAAAAGELVEQLEANL
LEYNFVMELDFLKGRSKLNAPVFTLL
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 chain5vjn Chain A Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vjn Synthesis of bis-Phosphate Iminoaltritol Enantiomers and Structural Characterization with Adenine Phosphoribosyltransferase.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		L26 F27 I131 A133 L161
Binding residue
(residue number reindexed from 1)		L24 F25 I129 A131 L159
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R69
Catalytic site (residue number reindexed from 1) R67
Enzyme Commision number 2.4.2.7: adenine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0002055 adenine binding
GO:0003999 adenine phosphoribosyltransferase activity
GO:0005515 protein binding
GO:0016208 AMP binding
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0006168 adenine salvage
GO:0009058 biosynthetic process
GO:0044209 AMP salvage
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5vjn, PDBe:5vjn, PDBj:5vjn
PDBsum5vjn
PubMed29178779
UniProtP49435|APT1_YEAST Adenine phosphoribosyltransferase 1 (Gene Name=APT1)

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