Structure of PDB 5yw5 Chain A Binding Site BS01

Receptor Information
>5yw5 Chain A (length=178) Species: 263 (Francisella tularensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDKMNLDFIKSKIAAVPDFPKPGIMFRDITPLLADPQGLRKTAEAMAQEL
KNKGIQPTIVAGTESRGFIFGVALAEVLGLGFVPVRKPGKLPRATYSVKY
DLEYGSDSLEIHQDAFKVTDEVLVVDDLLATGGTAKATVDLIEKTQAKVA
GLIFVMELDGLGGREVLAGYNVSALIKF
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 chain5yw5 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yw5 Crystal structures of APRT from Francisella tularensis - an N-H···N hydrogen bond imparts adenine specificity in adenine phosporibosyltransferases.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F23 R24
Binding residue
(residue number reindexed from 1)		F26 R27
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.2.7: adenine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0002055 adenine binding
GO:0003999 adenine phosphoribosyltransferase activity
GO:0016208 AMP binding
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0006168 adenine salvage
GO:0009116 nucleoside metabolic process
GO:0044209 AMP salvage
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:5yw5, PDBe:5yw5, PDBj:5yw5
PDBsum5yw5
PubMed29694705
UniProtQ5NII9|APT_FRATT Adenine phosphoribosyltransferase (Gene Name=apt)

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