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Related entries of code: 3zj6
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 ID3zj6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameRaucaffricine Glucosidase
Ligand NameVM2
EC.Number E.C.3.2.1.125
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=0.22uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Enzyme.Inhib.Med.Chem.Early DOI: 10.3109/14756366.2014.949252
Ligand Properties
Formula C13H26NO4
Molecular Weight 260.350
Exact Mass 260.186
No. of atoms 44
No. of bonds 45
Polar Surface Area 97.53
LOGP Value 0.28      (Computed with XLOGP3)
-1.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
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): Q9SPP9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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