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Related entries of code: 4qtn
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4qtn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNicotinamide riboside transporter PnuC
Ligand NameNNR
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=142nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014)Nature Structural & Molecular Biology Online 7 October:pp.1-4
Ligand Properties
Formula C11H16N2O5
Molecular Weight 256.255
Exact Mass 256.106
No. of atoms 34
No. of bonds 35
Polar Surface Area 116.25
LOGP Value -1.57      (Computed with XLOGP3)
-1.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): D2ZZC1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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