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Related entries of code: 6qwi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6r4kRCSB PDB    PDBbind448aa, >6R4K_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6qwi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-glucosidase A from Paenibacillus polymyxa
Ligand NameJJW
EC.Number E.C.3.2.1.21
Resolution 2.85(Å)
Affinity (Kd/Ki/IC50)Ki=51uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Bioorg.Chem. Vol. 89: pp. 103026-103026
Ligand Properties
Formula C17H25N4O4
Molecular Weight 349.405
Exact Mass 349.188
No. of atoms 50
No. of bonds 52
Polar Surface Area 106.24
LOGP Value -0.35      (Computed with XLOGP3)
0.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): P22073  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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