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Related entries of code: 3wmc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nsnRCSB PDB    PDBbind572aa, >3NSN_1|Chain... at 99%
3ozpRCSB PDB    PDBbind572aa, >3OZP_1|Chain... at 99%
3s6tRCSB PDB    PDBbind575aa, >3S6T_1|Chain... *
3vtrRCSB PDB    PDBbind572aa, >3VTR_1|Chain... at 99%
3wmbRCSB PDB    PDBbind572aa, >3WMB_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3wmc
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameinsect beta-N-acetyl-D-hexosaminidase OfHex1
Ligand NameNF6
EC.Number E.C.3.2.1.52
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=0.31uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Sci Rep Vol. 4: pp. 6188-6188
Ligand Properties
Formula C20H27N5O2S
Molecular Weight 401.526
Exact Mass 401.189
No. of atoms 55
No. of bonds 58
Polar Surface Area 118.77
LOGP Value 1.54      (Computed with XLOGP3)
1.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): Q06GJ0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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